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6-Chloro-1-(3,5-dimethyl-phenyl-sulfon-yl)-1H-benzimidazol-2(3H)-one.

ABSTRACT: The title compound, C(15)H(13)ClN(2)O(3)S, is one of a series of N(1)-benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, a new class of non-nucleoside HIV-1 reverse transcriptase inhibitors. The dihedral angle between the two pharmacophoric groups, the dimethyl-benzene ring and the benzimidazolone ring system, is 88?(1)°, giving a butterfly-like conformation to the mol-ecule. The mol-ecular packing is characterized by a bifurcated N-H?(O,O) hydrogen bond and short Cl?O contacts of 3.122?(2)?Å. In addition, ?-? stacking of the benzimidazolone rings is also present, with inter-planar separations of 3.95?(1)?Å.

SUBMITTER: Meneghetti F 

PROVIDER: S-EPMC2968072 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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6-Chloro-1-(3,5-dimethyl-phenyl-sulfon-yl)-1H-benzimidazol-2(3H)-one.

Meneghetti Fiorella F   Bombieri Gabriella G   Logoteta Patrizia P   De Luca Laura L  

Acta crystallographica. Section E, Structure reports online 20081220 Pt 1

The title compound, C(15)H(13)ClN(2)O(3)S, is one of a series of N(1)-benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, a new class of non-nucleoside HIV-1 reverse transcriptase inhibitors. The dihedral angle between the two pharmacophoric groups, the dimethyl-benzene ring and the benzimidazolone ring system, is 88 (1)°, giving a butterfly-like conformation to the mol-ecule. The mol-ecular packing is characterized by a bifurcated N-H⋯(O,O) hydrogen bond and short Cl⋯O contacts of 3.122 (2) Å  ...[more]

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