1-(4-Nitrobenzoyl)-3-(4-nitrophenyl)thiourea acetone hemisolvate
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چکیده
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.
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The title compound, C(14)H(10)BrN(3)O(3)S, crystallizes as two concomitant polymorphs that differ in colour (one yellow and one colourless). Only the structure of the colourless form could be determined. The mol-ecule exists in the thio-amide form with an intra-molecular N-H⋯O=C hydrogen bond across the thio-urea system. Mol-ecules are linked into layers parallel to (120) by Br⋯O(nitro) contact...
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