Singh Durga P, Pratap Seema, Gupta Sushil K, Butcher Ray J
Department of Chemistry, M. M. V., Banaras Hindu University, Varanasi 221 005, India.
Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2882-3. doi: 10.1107/S1600536812035350. Epub 2012 Sep 8.
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.
在标题化合物C(16)H(12)N(2)OS(2)中，中心硫脲核心与噻吩环和萘环体系的平均平面之间的二面角分别为1.8 (2)°和6.45 (18)°。相对于硫脲C-N键上硫代苯甲酰基和萘基相对于S原子的位置，分子采取反式-顺式构象。噻吩环和亚磺酰基S原子均在两组位置上无序，占有率分别为0.862 (3):0.138 (3)和0.977 (3):0.023 (3)。观察到分子内N-H⋯O氢键。晶体堆积具有两个N-H⋯S氢键。
