Eltayeb Naser Eltaher, Teoh Siang Guan, Yeap Chin Sing, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1721-2. doi: 10.1107/S160053681102304X. Epub 2011 Jun 18.
In the title solvated benzimidazole compound, C(20)H(15)N(3)O(2)·C(2)H(6)OS, both the benzimidazole fused-ring system and the complete dimethyl sulfoxide solvent mol-ecule are disordered over two sets of sites, in 0.750 (5):0.250 (5) and 0.882 (4):0.118 (4) ratios, respectively. The conformation of the pyrimidine ring is close to a half-chair for the major disorder component, whereas for the minor component it is close to a boat. The dihy-droxy-phenyl ring is almost perpendicular to the mean plane of the benzimidazole ring [dihedral angle = 87.3 (2)° for the major disorder component and 88.3 (5)° for the minor disorder component]. In the crystal, mol-ecules are linked into layers parallel to (110) by O-H⋯N and C-H⋯O hydrogen bonds. A bifurcated O-H⋯(O,S) bond links the benzimidazole and solvent mol-ecules.
在标题化合物溶剂化苯并咪唑化合物C(20)H(15)N(3)O(2)·C(2)H(6)OS中，苯并咪唑稠环体系和完整的二甲基亚砜溶剂分子均在两组位点上无序，比例分别为0.750 (5):0.250 (5)和0.882 (4):0.118 (4)。对于主要无序组分，嘧啶环的构象接近半椅式，而对于次要组分，其构象接近船式。二羟基苯环几乎垂直于苯并咪唑环的平均平面[对于主要无序组分，二面角 = 87.3 (2)°，对于次要无序组分，二面角 = 88.3 (5)°]。在晶体中，分子通过O-H⋯N和C-H⋯O氢键连接成平行于(110)的层。一个分叉的O-H⋯(O,S)键连接苯并咪唑和溶剂分子。
