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1,3-Bis(3-methyl-phen-yl)thio-urea: triclinic polymorph.

ABSTRACT: The title compound, C(15)H(16)N(2)S, crystallizes with two molecules in the asymmetric unit. The crystallographic behaviour of the two isomers is different. The mol-ecules are dimerized, forming an R(2) (2)(8) ring motif due to inter-molecular N-H?S hydrogen bonds. C-H?S hydrogen bonds form R(2) (2)(12) ring motifs. In one molecule, the dihedral angle between the benzene rings is 62.54?(6)°, whereas in the other it is 79.54?(6)°. The H atoms of one of the methyl groups in each molecule are disordered over two sites, with occupancy ratios of 0.52?(3):0.48?(3) and 0.60?(3):0.40?(3).

SUBMITTER: Shahwar D

PROVIDER: S-EPMC2968578 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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1,3-Bis(3-methyl-phen-yl)thio-urea: triclinic polymorph.

Shahwar Durre D Tahir M Nawaz MN Khan Muhammad Akmal MA Ahmad Naeem N Furqan Muhammad M

Acta crystallographica. Section E, Structure reports online 20090206 Pt 3

The title compound, C(15)H(16)N(2)S, crystallizes with two molecules in the asymmetric unit. The crystallographic behaviour of the two isomers is different. The mol-ecules are dimerized, forming an R(2) (2)(8) ring motif due to inter-molecular N-H⋯S hydrogen bonds. C-H⋯S hydrogen bonds form R(2) (2)(12) ring motifs. In one molecule, the dihedral angle between the benzene rings is 62.54 (6)°, whereas in the other it is 79.54 (6)°. The H atoms of one of the methyl groups in each molecule are disor ...[more]

PMID: 21582151

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