Shafiq Zahid, Yaqub Muhammad, Tahir M Nawaz, Hussain Abid, Iqbal M Saeed
Acta Crystallogr Sect E Struct Rep Online. 2009 Sep 19;65(Pt 10):o2501. doi: 10.1107/S1600536809037350.
The title compound, C(12)H(9)BrN(2)OS·0.06H(2)O, is a hydrated Schiff base derived from benzoic hydrazide and 4-bromo-thio-phene-2-carboxaldehide. The two Schiff base mol-ecules in the asymmetric unit differ crystallographically: in one mol-ecule the dihedral angle between the benzene ring and thio-phene ring is 49.88 (11)°, whereas the other mol-ecule the rings are almost coplanar with an r.m.s. deviation for the non-H atoms of 0.025 Å. In the crystal, mol-ecules form polymeric sheets linked by N-H⋯O and C-H⋯O hydrogen bonds. The water mol-ecule of crystallization is partially occupied and its H atoms could not be located.
标题化合物C(12)H(9)BrN(2)OS·0.06H(2)O是一种由苯甲酰肼和4-溴噻吩-2-甲醛衍生而来的水合席夫碱。不对称单元中的两个席夫碱分子在晶体学上有所不同:在一个分子中,苯环和噻吩环之间的二面角为49.88 (11)°,而在另一个分子中,两个环几乎共面,非氢原子的均方根偏差为0.025 Å。在晶体中,分子通过N-H⋯O和C-H⋯O氢键形成聚合物片层。结晶水分子部分占据,其氢原子无法定位。