N-Benzoyl-2-methylbenzenesulfonamide
نویسندگان
چکیده
In the title compound, C(14)H(13)NO(3)S, the conformation of the N-H bond in the C-SO(2)-NH-C(O) segment is anti to the C=O bond. The tolyl and benzoyl groups are twisted about the S-N bond, with a C-S-N-C torsion angle of 68.8 (4)°. The dihedral angle between the sulfonyl and the benzoyl benzene rings is 73.9 (1)°. In the crystal, the mol-ecules are linked into C(4) chains along the c axis by N-H⋯O hydrogen bonds.
منابع مشابه
N-(3-Chlorobenzoyl)-2-methylbenzenesulfonamide
In the title compound, C(14)H(12)ClNO(3)S, the N-H bond in the C-SO(2)-NH-C(O) segment is anti to the C=O bond. Further, the C=O bond and the meta-Cl atom in the benzoyl ring are also anti to each other. The dihedral angle between the sulfonyl and the benzoyl benzene rings is 72.4 (1)°. In the crystal, mol-ecules are linked by pairs of N-H⋯O hydrogen bonds, forming inversion dimers.
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In the title compound, C(14)H(13)NO(3)S, the N-H bond in is anti to the C=O bond. The dihedral angle between the two aromatic rings is 79.4 (1)°. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, generating C(4) chains.
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The N-(2-benzoyl-phenyl) oxalyl derivatives are important models for studying of three-centered intramolecular hydrogen bonding in organic molecules. The quantum theoretical calculations for two crystal structures of N-(2-benzoyl-phenyl) oxalyl (compounds I and II) were performed by Density Functional Theory (B3LYP method and 6-311+G* basis set). From the optimized structures, geometric paramet...
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