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1-(Naphthalen-1-yl)-3-[(thio-phen-2-yl)carbon-yl]thio-urea.

ABSTRACT: In the title compound, C(16)H(12)N(2)OS(2), the dihedral angles between the mean planes of the central thio-urea core and the thio-phene ring and the naphthalene ring system are 1.8?(2) and 6.45?(18)°, respectively. The mol-ecule adopts a trans-cis conformation with respect to the position of thio-phenoyl and naphthyl groups relative to the S atom across the thiourea C-N bonds. Both the thio-phene ring and the sulfanyl-idene S atom are disordered over two sets of sites with occupancies of 0.862?(3):0.138?(3) and 0.977?(3):0.023?(3), respectively. An intra-molecular N-H?O hydrogen bond is observed. The crystal packing features two N-H?S hydrogen bonds.

SUBMITTER: Singh DP

PROVIDER: S-EPMC3470236 | biostudies-other | 2012 Oct

REPOSITORIES: biostudies-other

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1-(Naphthalen-1-yl)-3-[(thio-phen-2-yl)carbon-yl]thio-urea.

Singh Durga P DP Pratap Seema S Gupta Sushil K SK Butcher Ray J RJ

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

In the title compound, C(16)H(12)N(2)OS(2), the dihedral angles between the mean planes of the central thio-urea core and the thio-phene ring and the naphthalene ring system are 1.8 (2) and 6.45 (18)°, respectively. The mol-ecule adopts a trans-cis conformation with respect to the position of thio-phenoyl and naphthyl groups relative to the S atom across the thiourea C-N bonds. Both the thio-phene ring and the sulfanyl-idene S atom are disordered over two sets of sites with occupancies of 0.862 ...[more]

PMID: 23125680

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