Vivek K Gupta

University of Jammu, Jammu City, Kashmir, India

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Publications (190)153.57 Total impact

  • [Show abstract] [Hide abstract]
    ABSTRACT: The title compounds, 2�(4�nitrophenyl)�2�(phenylamino)propanenitrile (C15H13N3O2) (1) and 2�(4�fluorophenylamino)�2�(4�nitrophenyl)propanenitrile, (C15H12FN3O2) (2), were synthesized and char� acterized by spectral analysis and X�ray diffraction studies. Crystals 1 are trigonal, sp. gr. P61, Z = 6, a = 9.4638(9) Å, c = 26.877(3) Å, R = 0.0567; crystals 2 are monoclinic, sp. gr. C2/c, Z = 8, a = 16.9640(12) Å, b = 5.9812(5) Å, c = 27.460(2) Å, β = 91.57(7)°. R = 0.0498. The dihedral angle between the planes of nitro� phenyl and phenylamino rings in 1 is 83.55(20)°; the dihedral angle between the planes of flourophenylamino and nitrophenyl rings in 2 is 80.59(7)°. The crystal structure of 1 is stabilized by N–H⋅⋅⋅O hydrogen bonds, whereas N–H⋅⋅⋅N and C–H⋅⋅⋅F inter� and C–H⋅⋅⋅N intramolecular interactions are observed in crystal 2.
    Crystallography Reports 11/2014; 59(7):1037-1041. · 0.52 Impact Factor
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    ABSTRACT: The title compounds, 2-(4-nitrophenyl)-2-(phenylamino)propanenitrile (C15H13N3O2) (1) and 2-(4-fluorophenylamino)-2-(4nitrophenyl)propanenitrile, (C15H12FN3O2) (2), were synthesized and char acterized by spectral analysis and Xray diffraction studies. Crystals 1 are trigonal, sp. gr. P61, Z = 6, a = 9.4638(9) Å, c = 26.877(3) Å, R = 0.0567; crystals 2 are monoclinic, sp. gr. C2/c, Z = 8, a = 16.9640(12) Å, b = 5.9812(5) Å, c = 27.460(2) Å, β = 91.57(7)°. R = 0.0498. The dihedral angle between the planes of nitro phenyl and phenylamino rings in 1 is 83.55(20)°; the dihedral angle between the planes of flourophenylamino and nitrophenyl rings in 2 is 80.59(7)°. The crystal structure of 1 is stabilized by N–H⋅⋅⋅O hydrogen bonds, whereas N–H⋅⋅⋅N and C–H⋅⋅⋅F inter and C–H⋅⋅⋅N intramolecular interactions are observed in crystal 2. DOI: 10.113
    Crystallography Reports 11/2014; 59(7):1037. · 0.52 Impact Factor
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    ABSTRACT: N-Protected derivatives of 1-amino-cyclo-hexa-neacetic acid (β(3,3)-Ac6c), namely Valeroyl-β(3,3)-Ac6c-OH [2-(1-pentanamidocyclohexyl)acetic acid, C13H23NO3], (I), Fmoc-β(3,3)-Ac6c-OH [2-(1-{[(9H-fluoren-9-yloxy)carbonyl]amino}cyclohexyl)acetic acid, C23H25NO4], (II), and Pyr-β(3,3)-Ac6c-OH {2-[1-(pyrazine-2-amido)cyclohexyl]acetic acid, C13H17N3O3}, (III), were synthesized and their conformational properties were determined by X-ray diffraction analysis. The backbone torsion angles (ϕ, θ) for β(3,3)-Ac6c-OH are restricted to gauche conformations in all the derivatives, with a chair conformation of the cyclo-hexane ring. In the crystal structure of (I), the packing of mol-ecules shows both carb-oxy-lic acid R 2 (2)(8) O-H⋯O and centrosymmetric R (2) 2(14) N-H⋯O hydrogen-bonding inter-actions, giving rise to chains along the c-axis direction. In (II), centrosymmetric carb-oxy-lic acid R 2 (2)(8) O-H⋯O dimers are extended through N-H⋯O hydrogen bonds and together with inter-ring π-π inter-actions between Fmoc groups [ring centroid distance = 3.786 (2) Å], generate a layered structure lying parallel to (010). In the case of compound (III), carb-oxy-lic acid O-H⋯Npyrazine hydrogen bonds give rise to zigzag ribbon structures extending along the c-axis direction.
    Acta Crystallographica Section E Structure Reports Online 11/2014; 70(Pt 11):272-277. · 0.35 Impact Factor
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    ABSTRACT: The thiopyrazole gave many new polycyclic thiopyranopyrazole-heterocycles when it was assembled with a variety of O-alkenylated/alkynylated salicylaldehydes and naphthaldehydes in Brønsted acidic ionic liquid, [Hmim]HSO4, via domino/Knoevenagel–hetero-Diels–Alder (DKHDA) reaction. The reaction is highly stereoselective and the work-up procedure required no chromatography of products in many cases.
    Tetrahedron Letters 10/2014; 55(44):6060-6064. · 2.40 Impact Factor
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    ABSTRACT: In the title mol-ecule, C19H21FN6O4, the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å] are 73.32 (7) and 63.81 (8)°. The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6)°. In the crystal, N-H⋯O hydrogen bonds link mol-ecules, forming a two-dimensional network parallel to (001) and in combination with weak C-H⋯O hydrogen bonds, a three-dimensional network is formed. Weak C-H⋯π inter-actions and π-π inter-actions, with a centroid-centroid distance of 3.599 (2) Å are also observed.
    Acta Crystallographica Section E Structure Reports Online 10/2014; 70(Pt 10):o1098-o1099. · 0.35 Impact Factor
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    ABSTRACT: The title compound, C18H14Cl2N2O2, crystallizes with two mol-ecules, A and B, in the asymmetric unit. In mol-ecule A, the dihedral angles between the central pyrazole ring and pendant di-chloro-benzene and p-tolyl rings are 2.18 (16) and 46.78 (16)°, respectively. In mol-ecule B, the equivalent angles are 27.45 (16) and 40.45 (18)°, respectively. Each mol-ecule features an intra-molecular O-H⋯O hydrogen bond, which closes an S(6) ring and mol-ecule A also features a C-H⋯O inter-action. In the crystal, weak C-H⋯π interactions and aromatic π-π stacking [shortest centroid-centroid separation = 3.707 (2) Å] generate a three-dimensional network.
    Acta Crystallographica Section E Structure Reports Online 10/2014; 70(Pt 10):o1136-o1137. · 0.35 Impact Factor
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    ABSTRACT: IUCr Journals CRYSTALLOGRAPHY JOURNALS ONLINE This open-access article is distributed under the terms of the Creative Commons Attribution Licence http://creativecommons.org/licenses/by/2.0/uk/legalcode, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. Acta Cryst. (2014). E70, o1098–o1099 Sharma et al. · C 19 H 21 FN 6 O 4 Crystal structure of 5,5 0 0 0 -[(4-fluorophenyl)-methylene]bis[6-amino-1,3-dimethyl-pyrimidine-2,4(1H,3H)-dione] In the title molecule, C 19 H 21 FN 6 O 4 , the dihedral angles between the benzene ring and essentially planar pyrimidine rings [maximum deviations of 0.036 (2) and 0.056 (2) Å ] are 73.32 (7) and 63.81 (8) . The dihedral angle between the mean planes of the pyrimidine rings is 61.43 (6) . In the crystal, N— HÁ Á ÁO hydrogen bonds link molecules, forming a two-dimensional network parallel to (001) and in combination with weak C—HÁ Á ÁO hydrogen bonds, a three-dimensional network is formed. Weak C—HÁ Á Á interactions and – interactions, with a centroid–centroid distance of 3.599 (2) Å are also observed.
    Acta Crystallographica Section E Structure Reports Online 09/2014; 70:1098-1099. · 0.35 Impact Factor
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    ABSTRACT: Asthma is characterized by persistent airway inflammation caused by over expression of pro-inflammatory immune response, predominantly by eosinophils and lymphocytes. Lymphocytes (CD4+ Th2) have been documented to be responsible for the pathogenesis of asthma by secreting Th2 cytokines and activating eosinophils, leading to airway hypersensitivity. Secretion of Th2 cytokines has been shown critical for the induction of the characteristic airway inflammation in humans and animal models of asthma. These cytokines influence the inflammatory response and lead to the pathological changes associated with asthma. In the present study, 10 azepino [2,1-b] quinazolone derivatives (R1 to R10) were synthesised and evaluated for their anti-asthmatic activity using a murine model of asthma. The compounds R2, R4, R6, R7 and R8 caused a notable decrease Th2 cytokine secretion and eosinophilia in asthma-induced animals. However, the decrease was highly significant in case of R8-treated animals. Crystal structure of R8 was made by X-ray crystallography. Molecular modelling studies were done for the compound R8 with transcription factors STAT6 and GATA3 which are the main transcription factors responsible for Th2 cell differentiation. Also the pharmacokinetics of R8 was carried out in mice after oral and intravenous administrations.
    Medicinal Chemistry Research 09/2014; 23(9). · 1.61 Impact Factor
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    ABSTRACT: A series of homoleptic and heteroleptic complexes: [Cd(fprdtc)2] (1), [Cd(fprdtc)2(1,10-phen)] (2), [Cd(fprdtc)2(2,2′-bipy)] (3), [Cd(bufdtc)2] (4), [Cd(bufdtc)2(1,10-phen)] (5), and [Cd(bufdtc)2(2,2′-bipy)] (6)(where fprdtc = N-furfuryl-N-propyldithiocarbamate; bufdtc = N-butyl-N-furfuryldithiocarbamate) have been prepared and characterized. A single crystal X-ray structural analysis was carried out for 2. Reduction in νC–N (thioureide) for the heteroleptic complexes (2, 3, 5, and 6) compared to that of homoleptic complexes (1 and 4) is attributed to the change in coordination number from four to six and steric effect exerted by 1,10-phenanthroline and 2,2′-bipyridine. The downfield shift of N13CS2 carbon signal for heteroleptic complexes from the chemical shift value of homoleptic complexes is also attributed to the increase in coordination number. Single crystal X-ray structure of 2 indicates that the mononuclear structure of 2 shows symmetric coordination of the dithiocarbamate ligands and a distorted octahedral geometry for cadmium, defined by an N2S4 donor set, results. In this crystal structure, most significant π–π interaction is also observed.
    Phosphorus Sulfur and Silicon and the Related Elements 09/2014; 189(9). · 0.60 Impact Factor
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    ABSTRACT: A series of new disubstituted diphenyldithiophosphate complexes of cadmium [{(ArO)2PS2}2Cd] (9–12) have been isolated in aqueous media while their donor stabilized adducts [{(ArO)2PS2}2Cd·2C5H5N] (13–16) [(Ar = 2,4-(CH3)2C6H3, 2,5-(CH3)2C6H3, 3,4-(CH3)2C6H3 and 3,5-(CH3)2C6H3)] have been isolated in chloroform. These newly synthesized complexes were characterized by elemental analyses, IR and NMR (1H, 13C and 31P) spectroscopic analyses. The dithiophosphate ligands are coordinated bidentate to the cadmium ion via the two thiolate sulfurs. The compounds [{(3,5-CH3)2C6H3O}2PS2HNEt3] (4) and [{(3,5-CH3)2C6H3O}2PS2]2Cd(NC5H5)2 (16) crystallize in the monoclinic system with space group P2 1 /c. Single-crystal X-ray analysis of 4 reveals that phosphorus of the anion is tetrahedrally bonded to two S and two O atoms. The structure is stabilized by cation–anion N–H…S intermolecular hydrogen bond interactions. In 16, two diphenyldithiophosphate ions are bidentate with both sulfurs coordinated to cadmium. Each forms a four-membered chelate ring in the equatorial plane. Two pyridines are axially coordinated to cadmium leading to octahedral geometry. The thermal properties of this complex have also been examined by combined DTA/DTG thermal analyses.
    Journal of Coordination Chemistry 09/2014; 67(17). · 1.80 Impact Factor
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    ABSTRACT: The coordination polymer (CP) of bis(3-pyridyl)butanediamide with Cu(ClO4)2 is a 2D network (CP-3-Cu), which showed two-fold parallel interpenetration, whereas with Cd(ClO4)2 it is a 1D network containing rectangular loops (CP-4-Cd). The metal metathesis of CP-4-Cd with Cu(II) resulted in the isomorphous replacement of the Cd(II) centre with Cu(II). Transmetallation reaction resulted in retaining the structural features of CP-4-Cd even in case of a flexible ligand. The CP formed via transmetallation couldn't be synthesized from a direct reaction of bis(3-pyridyl)butanediamide and Cu(ClO4)2. The transmetallation kinetic studies were performed with an atomic absorption spectrophotometer (AAS) and wavelength dispersive X-ray fluorescence (WDXRF).
    RSC Advances 08/2014; 4(69). · 3.71 Impact Factor
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    ABSTRACT: In the title compound, C17H18N4O4, the dihedral angle between the benzene ring and 2,4-di-hydro-pyrano[2,3-c]pyrazole ring system is 89.41 (7)°. The pyran moiety adopts a strongly flattened boat conformation. In the crystal, mol-ecules are linked by N-H⋯N, N-H⋯O, C-H⋯N and C-H⋯O hydrogen bonds into an infinite two-dimensional network parallel to (110). There are π-π inter-actions between the pyrazole rings in neighbouring layers [centroid-centroid distance = 3.621 (1) Å].
    Acta Crystallographica Section E Structure Reports Online 08/2014; 70(Pt 8):o875-6. · 0.35 Impact Factor
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    ABSTRACT: In the title compound, C17H18N4O4, the dihedral angle between the benzene ring and 2,4-dihydropyrano[2,3-c]pyrazole ring system is 89.41 (7)�. The pyran moiety adopts a strongly flattened boat conformation. In the crystal, molecules are linked by N—H� � �N, N—H� � �O, C—H� � �N and C— H� � �O hydrogen bonds into an infinite two-dimensional network parallel to (110). There are �–� interactions between the pyrazole rings in neighbouring layers [centroid–centroid distance = 3.621 (1) A ˚ ].
    Acta Crystallographica Section E Structure Reports Online 07/2014; E70:o875-o876. · 0.35 Impact Factor
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    ABSTRACT: In the asymmetric unit of the title compound, C16H14N4O3�- C2H6OS, there are two independent main molecules (A and B) and two dimethyl sulfoxide solvent molecules. In molecule A, the pyran ring is in a flattened sofa conformation, with the sp3-hydridized C atom forming the flap. In molecule B, the pyran ring is in a flattened boat conformation, with the sp3-hydridized C atom and the O atom deviating by 0.073 (3) and 0.055 (3) A ˚ , respectively, from the plane of the other four atoms. The mean planes the pyrazole and phenyl rings form dihedral angles of 84.4 (2) and 84.9 (2)�, respectively, for molecules A and B. In the crystal, N—H� � �O and N—H� � �N hydrogen bonds link the components of the structure into chains along [010]. In both solvent molecules, the S atoms are disordered over two sites, with occupancy ratios of 0.679 (4):0.321 (4) and 0.546 (6):0.454 (6).
    Acta Crystallographica Section E Structure Reports Online 06/2014; E70:o795-o796. · 0.35 Impact Factor
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    ABSTRACT: The compound 2-amino-5-oxo-4-p-tolyl-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile, crystallizes in the monoclinic space group P121/c1 with the unit-cell parameters: a= 9.1330(7), b= 13.1343(9), c= 13.1945(8) Å, β = 91.746(4)o and Z = 4. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0537 for 1830 observed reflections. The molecules within the unit cell are stabilized by C-H….O, N-H…O N-H….N and C-H…..π type of hydrogen bonding
    European Chemical Bulletin (ISSN 2063-5346). 05/2014; 3(7):654-657.
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    ABSTRACT: The 2-alkenylthiopyranoquinoline-3-carbaldehyde derived from 2-mercaptoquinoline-3-carbaldehyde and citral underwent smooth domino Knoevenagel/hetero-Diels–Alder reaction with heterocyclic mono- or diketones in tetrabutylammonium hydrogensulfate under solvent-free conditions and afforded a new class of thiochromenoquinoline-fused heterocycles in good yields. The reaction is highly diasteroselective and can be applied to analogues of carbocyclic diketones as well. The stereochemistry of the products was confirmed by single-crystal X-ray diffraction and 2D NMR NOESY data.
    Monatshefte fuer Chemie/Chemical Monthly 04/2014; 145:1179. · 1.63 Impact Factor
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    ABSTRACT: In the title compound, C22H21N3O2, the pyrimidine ring is essentially planar [maximum deviation = 0.018 (2) Å] and forms dihedral angles of 22.70 (8) and 0.97 (7)°, respectively, with the fused benzene ring and the hy-droxy-substituted benzene ring. The piperidine ring has a chair conformation and the pyran ring has a flattened twist-boat conformation. The hy-droxy group was refined as disordered over two sets of sites in a 0.702 (4):0.298 (4) ratio. The disorder corresponds to a rotation of approxomiately 180° about the C-C bond connecting the phenol group to the pyrimidine ring and hence, both the major and minor components of disorder form intra-molecular O-H⋯N hydrogen bonds. In the crystal, pairs of weak C-H⋯π inter-actions form inversion dimers. In addition, π-π inter-actions are observed between the pyrimidine ring and the hy-droxy-substituted benzene ring [centroid-centroid separation = 3.739 (2) Å].
    Acta Crystallographica Section E Structure Reports Online 04/2014; 70(Pt 4):o447-8. · 0.35 Impact Factor
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    ABSTRACT: The first nickel(II) complexes of disubstituted diphenyldithiophosphates have been isolated in quantitative yield and structurally characterized by elemental analyses, IR, NMR (1H, 13C and 31P) and single crystal X-ray analyses. A cyclic voltammetry experiment depicted a quasi-reversible and one electron redox process. The complexes depicted potential antifungal activities.
    Polyhedron 04/2014; 72:140–146. · 2.05 Impact Factor
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    ABSTRACT: The title compound, (Z)-1-(3-chlorophenyl)-4[1{(2hydroxyphenyl)amino}propylidene]-3-methyl-1H-pyrazol-5(4H)-one was synthesized by refluxing compound 1-(m-chlorophenyl)-3-methyl-4-propionyl-5-pyrazolone, with 2-aminophenol in ethanol. The compound crystallizes in the orthorhombic crystal system with space group Pca21 having unit cell parameters: a = 26.2993(8), b = 7.0724(2) and c = 18.7170(5)Å. The structure contains two crystallographically independent molecules, A, and, B, in the asymmetric unit cell. The crystal structure was solved by direct method using single crystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R- value of 0.049 for 5207 observed reflections.
    03/2014; 1591(1).
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    ABSTRACT: In the title compound, C30H40FNO3, the dihedral angle between the benzene rings is 57.76 (7)°. The alkyl chain adopts an all-trans conformation. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds, forming inversion dimers.
    Acta Crystallographica Section E Structure Reports Online 03/2014; 70(Pt 3):o244. · 0.35 Impact Factor

Publication Stats

156 Citations
153.57 Total Impact Points

Institutions

  • 1993–2014
    • University of Jammu
      • Department of Chemistry
      Jammu City, Kashmir, India
  • 2013
    • P.A. College of Engineering
      Mangalur, Karnātaka, India
  • 2012–2013
    • University of Mysore
      • Department of Chemistry
      Mahisūr, Karnātaka, India
    • Birla Institute of Technology and Science Pilani
      • Department of Chemistry
      Pilāni, Rajasthan, India
    • Sardar Patel University
      • Department of Chemistry
      Vallabh Vidyanagar, State of Gujarat, India
  • 2011–2012
    • The Maharaja Sayajirao University of Baroda
      • Department of Chemistry
      Vadodara, State of Gujarat, India