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1-(4-Nitro-benzo-yl)-3-(4-nitro-phen-yl)-thio-urea acetone hemisolvate.

ABSTRACT: In the title compound, C(14)H(10)N(4)O(5)S·0.5C(3)H(6)O, the nitro-benzoyl and nitro-phenyl groups have trans and cis configurations, respectively, with respect to the thio-urea S atom. The mol-ecular conformation is stabilized by intra-molecular N-H?O and C-H?S hydrogen bonds. The acetone solvent mol-ecule possesses a crystallographically imposed twofold axis. In the crystal packing, thio-urea mol-ecules are linked by inter-molecular C-H?O hydrogen-bond inter-actions to form chains running parallel to the c axis. The chains are further bridged via N-H?O and C-H?O hydrogen bonds involving the acetone mol-ecules.

SUBMITTER: Xian L

PROVIDER: S-EPMC2959497 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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1-(4-Nitro-benzo-yl)-3-(4-nitro-phen-yl)-thio-urea acetone hemisolvate.

Xian Liang L Cui Lujuan L Cheng Ming M

Acta crystallographica. Section E, Structure reports online 20081018 Pt 11

In the title compound, C(14)H(10)N(4)O(5)S·0.5C(3)H(6)O, the nitro-benzoyl and nitro-phenyl groups have trans and cis configurations, respectively, with respect to the thio-urea S atom. The mol-ecular conformation is stabilized by intra-molecular N-H⋯O and C-H⋯S hydrogen bonds. The acetone solvent mol-ecule possesses a crystallographically imposed twofold axis. In the crystal packing, thio-urea mol-ecules are linked by inter-molecular C-H⋯O hydrogen-bond inter-actions to form chains running para ...[more]

PMID: 21580998

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