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N-[(2-Chloro-phen-yl)sulfon-yl]-2-meth-oxy-benzamide.

ABSTRACT: The title compound, C14H12ClNO4S, crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the benzene rings are 89.68?(1) (mol-ecule 1) and 82.9?(1)° (mol-ecule 2). In each mol-ecule, intra-molecular N-H?O hydrogen bonds between the amide H atom and the meth-oxy O atom generate S(6) loops. In the crystal, mol-ecule 2 is linked into inversion dimers through pairs of C-H?O inter-actions, forming an R 2 (2)(8) ring motif. Mol-ecules 1 and 2 are further linked along the b-axis direction through C-H?? inter-actions. The crystal structure is further stabilized by several ?-? stacking inter-actions [centroid-centroid separations = 3.7793?(1), 3.6697?(1) and 3.6958?(1)?Å], thus generating a three-dimensional architecture.

PROVIDER: S-EPMC3884364 | BioStudies |

REPOSITORIES: biostudies

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3-(4-Chloro-phenyl-sulfon-yl)-2-methyl-naphtho[1,2-b]furan.

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Project description:In the title mol-ecule, C(18)H(12)N(2)O(4)S, the carbazole skeleton is nearly planar [maximum deviation = 0.037?(1)?Å] and is oriented at a dihedral angle of 73.73?(5)° with respect to the benzene ring. An intra-molecular C-H?O hydrogen bond links a nitro O atom to the carbazole skeleton. In the crystal, inter-molecular C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. ?-? contacts between inversion-related benzene rings [centroid-centroid distance = 3.7828?(8)?Å] and two weak C-H?? inter-actions may also stabilize the structure.

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Project description:In the title mol-ecule, C(17)H(15)FO(3)S, the 4-fluoro-phenyl ring makes a dihedral angle of 74.06?(4)° with the mean plane of the benzofuran fragment. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H?O and C-H?? inter-actions. The crystal structure also exhibits aromatic ?-? inter-actions between the benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.629?(2)?Å].

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Project description:In the mol-ecule of the title compound, C(16)H(11)FOS, the benzene ring is oriented at a dihedral angle of 89.68?(3)° with respect to the planar [maximum deviation 0.009?(2)?Å] isocoumarin ring system. An intra-molecular C-H?S inter-action results in the formation of a planar five-membered ring. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules into chains parallel to the c axis. A ?-? contact between the isocoumarin rings [centroid-centroid distance = 3.818?(3)?Å] may further stabilize the structure.

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Bis(benzimidazol-1-yl)methane dihydrate.

Project description:The bis-(benzimidazol-1-yl)methane mol-ecule of the title compound, C(15)H(12)N(4)·2H(2)O, displays a trans conformation with a twofold axis running through the methylene C atom. Two adjacent water mol-ecules are bonded to this mol-ecule through O-H?N hydrogen bonds, forming a trimer. Adjacent trimers are connected together via C-H?O inter-actions, forming a chain running along the b-axis direction. Two such chains are joined together via ?-? inter-actions [centroid-centroid distance = 3.556?(2)?Å], forming double chains, which are connected via the water mol-ecules through C-H?O associations, forming a sheet structure. The sheets are stacked on top of each other along the a-axis direction and connected through O-H?O and C-H?O inter-actions, forming a three-dimensional ABAB layer network structure.

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