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ABSTRACT: The title compound, C15H19NO5, crystallizes in the monoclinic space group P2(1)/c with four molecules in the asymmetric unit, which differ from each other in the orientation of their methoxy groups. Of the three methoxy groups in each molecule, one lies close to the plane of the molecule and the other two have an out-of-plane conformation where they point in opposite directions. In the crystal structure, four different types of pi-stacks are observed and the molecules pack in two different types of stacking sheets, with alternating molecules A and B in one ribbon and alternating molecules C and D in the other. The supramolecular structure is supported by C-H...O and pi-pi interactions.
Acta Crystallographica Section C Crystal Structure Communications 01/2006; 61(Pt 12):o715-7. · 0.52 Impact Factor
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Acta Crystallographica Section E. 01/2005; 61(10):o3205-o3207.
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ABSTRACT: e solid state is stabilized by CHO, CH and intermolecular interactions. Comment The indole ring system is present in a number of natural products, many of which are found to possess antibacterial (Okabe & Adachi, 1998), antitumour (Schollmeyer et al., 1995), antidepressant (Grinev et al., 1984), antimicrobial (ElSayed et al., 1986; Gadaginamath & Patil, 1999) and antiin ammatory (Rodriguez et al., 1985) activities. Phenylsulfones show fungicidal activity comparable to or better than commercial fungicides (Wolf, 1999). The interaction of phenylsulfonyl indole with the calf-thymus DNA has also been studied by spectroscopic methods (Sivaraman et al., 1996). Indoles have been proved to display high aldose reductase inhibitory activity (Rajeswaran et al., 1999). The structure determination of the title compound, (I), was undertaken as part of our studies on indole derivatives. The asymmetric unit of (I) contains one-half molecule with the other half generated by a centre of in
09/2003;
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ABSTRACT: In the title compound, C(24)H(20)Br(2)N(2)O(4)S, the indole ring system is planar and the S atom has a distorted tetrahedral configuration. The sulfonyl-bound phenyl ring is orthogonal to the indole ring system and the conformation of the phenylsulfonyl substituent with respect to the indole moiety is influenced by intramolecular C-H...O hydrogen bonds involving the two sulfonyl O atoms. The mean plane through the acetylamido group makes a dihedral angle of 57.0 (1) degrees with the phenyl ring of the benzyl moiety. In the crystal, glide-related molecules are linked together by N-H...O hydrogen bonds and C-H...pi interactions to form molecular chains, which extend through the crystal. Inversion-related chains are interlinked by C-H...pi interactions to form molecular layers parallel to the bc plane. These layers are interconnected through pi-pi interactions involving the five- and six-membered rings of the indole moiety.
Acta Crystallographica Section C Crystal Structure Communications 04/2003; 59(Pt 3):o137-40. · 0.52 Impact Factor
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ABSTRACT: The crystal structure of 3-Hydroxy methyl 4,6-dimethoxy-9-phenylsulfonyl-carbazole. (C21H19NO5S) has been determined [CCDC 194425]. The compound crystallizes from methanol in the monoclinic system, space group I2/c, with unit cell parameters: a = 20.498(2), b = 9.258(2), c = 21.866(3)Å, β = 116.450(10)°, Z = 8, V = 3715.2(10)Å3. The crystal structure was solved by direct methods and refined by full-matrix least squares to a final R-value of 0.050 with 3508 unique reflections. The planar carbazole ring fragment is inclined at an angle of 79.9(1)° to the phenylsulfonyl group. The sum of the angle about N is 351.6(2)°. The atoms linked to the central hexavalent S atom are arranged in a tetrahedral configuration with the larger deviations in the O-SO angles [O1-S-O2 = 119.7(2)°] and the O1-S-N and O2-S-N angles [106.1(2) and 106.9(1)°, respectively].
Crystal Research and Technology 02/2003; 38(2):182 - 192. · 0.95 Impact Factor
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ABSTRACT: The title compounds, C(20)H(25)N(2)O(2)S(+).I(-), (I), and C(29)H(25)BrN(2)O(2)S, (II), respectively, both crystallize in space group P-1. The pyrrole ring subtends an angle with the sulfonyl group of 33.6 degrees in (I) and 21.5 degrees in (II). The phenyl ring of the sulfonyl substituent makes a dihedral angle with the best plane of the indole moiety of 81.6 degrees in (I) and 67.2 degrees in (II). The lengthening or shortening of the C-N bond distances in both compounds is due to the electron-withdrawing character of the phenylsulfonyl group. The S atoms are in distorted tetrahedral configurations. The molecular structures are stabilized by C-H.O and C-H.I interactions in (I), and by C-H.O and C-H.N interactions in (II).
Acta Crystallographica Section C Crystal Structure Communications 01/2003; 58(Pt 12):o700-3. · 0.52 Impact Factor
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Acta Crystallographica Section E. 01/2003; 59(6):o875-o877.
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Acta Crystallographica Section E. 01/2003; 59(1):o99-o101.
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Acta Crystallographica Section E. 01/2003; 59(5):o718-o720.
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Acta Crystallographica Section E. 01/2003; 59(5):o672-o674.
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Acta Crystallographica Section E. 01/2003; 59(5):o703-o705.
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ABSTRACT: The title compounds, C(27)H(26)Cl(2)NO(5)PS, (I), and C(27)H(27)BrNO(5)PS, (II), respectively, crystallize in the centrosymmetric space group P2(1)/n with one molecule in the asymmetric unit in each case. The dihedral angle between the benzene and pyrrole rings is 2.1 (1) degrees in (I) and 0.9 (2) degrees in (II). The phenylsulfonyl group is orthogonal to the halophenyl moiety, with a dihedral angle of 82.0 (1) degrees in (I) and 78.7 (2) degrees in (II). In both compounds, the molecular structures and packing are stabilized by C-H...O and C-H...halogen interactions. The intermolecular hydrogen bonds in (I) form cyclic dimers with graph-set descriptors R(2)(1)(10) and R(2)(2)(8) about a 2(1) axis, and those in (II) form a C(2)(2)(20) chain.
Acta Crystallographica Section C Crystal Structure Communications 09/2002; 58(Pt 8):o450-4. · 0.52 Impact Factor
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ABSTRACT: The title compound, C(28)H(27)N(3)O(4)S, crystallizes in the centrosymmetric space group P2(1)/n, with one molecule in the asymmetric unit. In the indole ring, the dihedral angle between the fused rings is 3.6 (1) degrees. The phenyl ring of the sulfonyl substituent makes a dihedral angle of 79.2 (1) degrees with the best plane of the indole moiety. The phenyl ring of the dimethylaminophenyl group is orthogonal to the phenyl ring of the phenylsulfonyl group. The dihedral angle formed by the weighted least-squares planes through the pyrrole ring and the phenyl ring of the dimethylaminophenyl group is 7.8 (1) degrees. The molecular structure is stabilized by C-H.O and C-H.N interactions.
Acta Crystallographica Section C Crystal Structure Communications 06/2002; 58(Pt 5):o277-9. · 0.52 Impact Factor
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ABSTRACT: In the title compound, 2-[(methylphenylamino)methyl]-1-(phenylsulfonyl)indole, C22H20N2O2S, the indole system is not strictly planar and the dihedral angle between the fused rings is 2.7 (1) degrees. The angles around the S atom of the sulfonyl substituent deviate significantly from the ideal value for tetrahedral geometry. The pyramidalization at the indole N atom is very small. Of the two C-H...O interactions, one influences the orientation of indole with respect to the sulfonyl group and the other determines the orientation of the phenyl bound to sulfonyl. The phenyl ring of the sulfonyl substituent makes a dihedral angle of 89.6 (1) degrees with the best plane of the indole. The molecular packing is stabilized by C-H...pi and C-H...O hydrogen bonds.
Acta Crystallographica Section C Crystal Structure Communications 06/2001; 57(Pt 5):569-71. · 0.52 Impact Factor
