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1-(4-Bromo-phen-yl)-1-(4-nitro-benzo-yl)thio-urea.

ABSTRACT: 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) contacts [3.103?(1)?Å], classical hydrogen bonds from the other NH function to the S atom and N(nitro)?O=C contacts. The layers are linked by weak C-H?O(nitro) hydrogen bonds to produce the observed three-dimensional network.

SUBMITTER: Saeed S 

PROVIDER: S-EPMC2977201 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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1-(4-Bromo-phen-yl)-1-(4-nitro-benzo-yl)thio-urea.

Saeed Sohail S   Rashid Naghmana N   Tahir Arifa A   Jones Peter G PG  

Acta crystallographica. Section E, Structure reports online 20090715 Pt 8

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) contacts [3.103 (1) Å], classical hydrogen bonds from the other NH function to the S atom and N(nitro)⋯O=C con  ...[more]

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