Mukhtar Asma, Tahir M Nawaz, Khan Misbahul Ain, Khan Muhammad Naeem
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 30;66(Pt 10):o2652. doi: 10.1107/S1600536810037761.
The mol-ecule of the title compound, C(18)H(19)NO(3)S, adopts an approximately planar conformation: the thio-phene and phenyl rings form a dihedral angle of 8.13 (11)° while the ethyl ester group (r.m.s. deviation = 0.0217 Å) is inclined at 1.25 (14) and 8.61 (13)°, respectively, to the thio-phene and phenyl rings. An intra-molecular N-H⋯O hydrogen bond with an S(6) ring motif occurs as well as an intra-molecular S⋯O hypervalent inter-action [S⋯O = 2.7369 (18) Å]. The cyclo-hexene ring adopts a half-chair conformation and is disordered over two positions with site occupation factors of 0.641 (6) and 0.359 (6). In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R(2) (2)(10) loops.
标题化合物C(18)H(19)NO(3)S的分子采取近似平面构象：噻吩环和苯环形成的二面角为8.13 (11)°，而乙酯基（均方根偏差 = 0.0217 Å）分别相对于噻吩环和苯环倾斜1.25 (14)°和8.61 (13)°。存在一个具有S(6)环模式的分子内N - H⋯O氢键以及一个分子内S⋯O超价相互作用[S⋯O = 2.7369 (18) Å]。环己烯环采取半椅构象，并且在两个位置上无序，占据因子分别为0.641 (6)和0.359 (6)。在晶体中，通过O - H⋯O氢键对连接的反演二聚体形成R(2) (2)(10)环。
