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ABSTRACT: The title compound, C(11)H(13)BrN(2)O(2)S(2), was obtained from the condensation reaction of methyl dithio-carbazate and 2-bromo-4,5-dimeth-oxy-benzaldehyde. In the mol-ecule, the benzene ring and dithio-carbazate fragment are located on opposite sides of the C=N bond, showing an E conformation. The dithio-carbazate fragment is approximately planar (r.m.s deviation = 0.0281 Å) and the mean plane is oriented at a dihedral angle of 11.38 (15)° with respect to the benzene ring. In the crystal, pairs of N-H⋯S hydrogen bonds link the mol-ecules into centrosymmetric dimers.
Acta Crystallographica Section E Structure Reports Online 11/2011; 67(Pt 11):o2919. · 0.35 Impact Factor
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ABSTRACT: The title compound, C(16)H(16)N(2)OS(2), was obtained from a condensation reaction of benzyl dithio-carbazate and 4-meth-oxy-benzaldehyde. In the mol-ecule, the meth-oxy-phenyl ring and dithio-carbazate fragment are located on opposite sides of the C=N double bond, showing an E configuration. The dithio-carbazate fragment is approximately planar (r.m.s. deviation = 0.0052 Å); its mean plane is oriented at dihedral angles of 8.19 (15) and 85.70 (13)°, respectively, to the meth-oxy-phenyl and phenyl rings. Inter-molecular N-H⋯S hydrogen bonds and weak C-H⋯π inter-actions are observed in the crystal structure.
Acta Crystallographica Section E Structure Reports Online 11/2011; 67(Pt 11):o3011. · 0.35 Impact Factor
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ABSTRACT: The title compound, C(16)H(15)BrN(2)OS(2), was obtained from the condensation reaction of benzyl dithio-carbazate and 2-bromo-5-meth-oxy-lbenzaldehyde. In the mol-ecule, the bromo-meth-oxy-phenyl ring and dithio-carbazate fragment are located on the opposite sides of the C=N double bond, showing the E conformation. The dithio-carbazate fragment is approximately planar (r.m.s deviation 0.0187 Å); its mean plane is oriented with respect to the bromo-meth-oxy-phenyl and phenyl rings at 7.60 (12) and 60.08 (9)°, respectively. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds occur. A short Br⋯Br contact of 3.5526 (12) Å is observed in the crystal structure.
Acta Crystallographica Section E Structure Reports Online 11/2011; 67(Pt 11):o3015. · 0.35 Impact Factor
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ABSTRACT: The title compound, C(13)H(12)N(2)OS, was obtained from the condensation reaction of 2-acetyl-thio-phene and benzohydrazide. In the mol-ecule, the formohydrazide fragment is approximately planar (r.m.s deviation = 0.0146 Å) and the mean plane is oriented at dihedral angles of 24.47 (11) and 28.86 (13)°, respectively, to the phenyl and thio-phene rings. The thio-phene and phenyl rings make a dihedral angle of 53.21 (8)°. The benzamide fragment and thio-phene ring are located on the opposite sides of the C=N bond, showing an E conformation. Classical inter-molecular N-H⋯O hydrogen bonds and weak C-H⋯O inter-actions are present in the crystal structure: three such bonds occur to the same O-atom acceptor.
Acta Crystallographica Section E Structure Reports Online 09/2011; 67(Pt 9):o2498. · 0.35 Impact Factor
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ABSTRACT: The title compound, C(16)H(16)N(2)S(2), was obtained from the condensation reaction of benzyl dithio-carbazate and 2-methyl-benzaldehyde. The asymmetric unit contains two independent mol-ecules. In both mol-ecules, the methyl-phenyl ring and the dithio-carbazate fragment are located on opposite sides of the C=N bond, showing an E conformation. In each mol-ecule, the dithio-carbazate fragment is approximately planar, the r.m.s deviations being 0.018 and 0.025 Å. The mean plane of dithio-carbazate group is oriented at dihedral angles of 7.9 (3) and 68.24 (12)°, respectively, to the methyl-phenyl and phenyl rings in one mol-ecule, while the corresponding angles in the other mol-ecule are 10.9 (3) and 69.76 (16)°. Inter-molecular N-H⋯S hydrogen bonding occurs in the crystal structure to generate inversion dimers for both molecules.
Acta Crystallographica Section E Structure Reports Online 09/2011; 67(Pt 9):o2497. · 0.35 Impact Factor
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ABSTRACT: The title compound, C(14)H(14)N(4)S(2), was obtained from a condensation reaction of benzyl dithio-carbazate and acetyl-pyrazine. The asymmetric unit contains two independent mol-ecules, in each of which the pyrazine ring and dithio-carbazate unit are approximately co-planar, the r.m.s. deviations being 0.0304 and 0.0418 Å. The mean plane is oriented with respect to the benzene ring at 49.22 (4)° in one mol-ecule and at 69.76 (7)° in the other. In the crystal, the mol-ecules are linked to each other via inter-molecular N-H⋯S hydrogen bonds, forming centrosymmetric supra-molecular dimers.
Acta Crystallographica Section E Structure Reports Online 08/2011; 67(Pt 8):o2105. · 0.35 Impact Factor
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ABSTRACT: The title compound, C(15)H(13)N(3)O(2)S(2), was obtained from a condensation reaction of benzyl dithio-carbazate and 2-nitro-benzaldehyde. In the mol-ecule, the nearly planar dithio-carbazate fragment [r.m.s deviation = 0.0264 Å] is oriented at dihedral angles of 7.25 (17) and 74.09 (9)°with respect to the two benzene rings. The nitro group is twisted by a dihedral angle of 22.4 (7)° to the attached benzene ring. The nitro-benzene ring and dithio-carbazate fragment are located on the opposite sides of the C=N bond, showing an E configuration. In the crystal, mol-ecules are linked via inter-molecular N-H⋯S hydrogen bonds, forming centrosymmetric supra-molecular dimers. Weak C-H⋯π inter-action is also observed in the crystal structure.
Acta Crystallographica Section E Structure Reports Online 08/2011; 67(Pt 8):o2107. · 0.35 Impact Factor
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ABSTRACT: The title compound, C(13)H(9)Cl(3)N(2), was obtained from a condensation reaction of benzaldehyde and 2,4,6-trichloro-phenyl-hydrazine. The mol-ecule assumes an E configuration with the phenyl ring and trichloro-phenyl ring located on opposite sides of the C=N bond. The phenyl ring is oriented at a dihedral angle of 42.58 (12)° with respect to the tricholorophenyl ring. In the crystal, the mol-ecules are linked via N-H⋯N hydrogen bonds, forming supra-molecular chains running along the c axis. π-π stacking is present between parallel trichloro-phenyl rings of adjacent mol-ecules, the face-to-face and centroid-centroid distances being 3.369 (14) and 3.724 (2) Å, respectively.
Acta Crystallographica Section E Structure Reports Online 01/2011; 67(Pt 2):o528. · 0.35 Impact Factor
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ABSTRACT: In the title compound, C(17)H(16)ClNO(3), the 4-hy-droxy-3-meth-oxy-benzyl group is planar [maximum atomic deviation = 0.0138 (16) Å] and is nearly perpendicular to the chloro-benzene ring, making a dihedral angle of 84.67 (4)°. The chloro-benzene and amide groups are located on the opposite sides of the C=C bond, showing an E configuration. The relatively long C=O bond distance of 1.2364 (19) Å and the short C-N bond distance of 1.341 (2) Å suggest electron delocalization in the amide fragment. Inter-molecular O-H⋯O, N-H⋯O and weak C-H⋯O hydrogen bonding is present in the crystal structure.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 7):o1700. · 0.35 Impact Factor
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ABSTRACT: In the mol-ecular structure of the title compound, C(13)H(18)ClNO(3), the amide group is nearly perpendicular to the benzene ring, making a dihedral angle of 85.66 (9)°. The C=O bond distance of 1.242 (3) Å and the C-N bond distance of 1.333 (3) Å suggest electron delocalization in the amide fragment. Inter-molecular O-H⋯O and N-H⋯O hydrogen bonding helps to stabilize the crystal structure.
Acta Crystallographica Section E Structure Reports Online 01/2010; 66(Pt 4):o877. · 0.35 Impact Factor
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ABSTRACT: In the mol-ecular structure of the title compound, C(15)H(15)NO(3), the two benzene rings are twisted with respect to each other, making a dihedral angle of 75.11 (10)°. In the amide fragment, the C=O and C-N bond distances are 1.248 (3) and 1.321 (3) Å, respectively, indicating electron delocalization. A partially ovelapped arrangement between parallel hydroxy-methoxy-benzene rings is observed in the crystal structure, and the face-to-face distance of 3.531 (16) Å suggests the existence of weak π-π stacking. N-H⋯O and O-H⋯O hydrogen bonding is also present in the crystal structure.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 8):o1899. · 0.35 Impact Factor
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ABSTRACT: Crystals of the title compound, C(15)H(12)N(4)O·H(2)O, were obtained from a condensation reaction of isonicotinylhydrazine and 3-indolylformaldehyde. The mol-ecule assumes an E configuration, with the isonicotinoylhydrazine and indole units located on the opposite sites of the C=N double bond. In the mol-ecular structure the pyridine ring is twisted with respect to the indole ring system, forming a dihedral angle of 44.72 (7)°. Extensive classical N-H⋯N, N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonding and weak C-H⋯O inter-actions are present in the crystal structure.
Acta Crystallographica Section E Structure Reports Online 01/2009; 65(Pt 8):o1900. · 0.35 Impact Factor
