Fun Hoong-Kun, Kia Reza, Girish K S, Kalluraya B
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 10;65(Pt 1):o66-7. doi: 10.1107/S1600536808039081.
The asymmetric unit of the title compound, C(27)H(24)N(4)O(2)·0.5C(2)H(6)O, comprises two crystallographically independent mol-ecules (A and B) with slightly different conformations, and one ethanol mol-ecule of crystallization. Intra-molecular C-H⋯O and O-H⋯O hydrogen bonds generate six- and eight-membered rings, producing S(6) and S(8) ring motifs, respectively. In mol-ecule A, one of the benzene rings is disordered over two positions, with site-occupancy factors of 0.542 (11) and 0.458 (11). The dihedral angles between the central benzene ring and the two outer benzene rings are 73.88 (9) and 82.6 (2)/88.9 (2)° in mol-ecule A, and 80.81 (8) and 79.38 (8)° in mol-ecule B. In the crystal structure, mol-ecules form infinite one-dimensional chains in the (101) plane. The crystal structure is stabilized by inter-molecular O-H⋯N, N-H⋯N, N-H⋯O and C-H⋯O hydrogen bonds, weak C-H⋯π and π-π [centroid-centroid = 3.5496 (1) Å] inter-actions.
标题化合物C(27)H(24)N(4)O(2)·0.5C(2)H(6)O的不对称单元包含两个晶体学独立的分子（A和B），其构象略有不同，以及一个结晶乙醇分子。分子内的C-H⋯O和O-H⋯O氢键分别形成六元环和八元环，产生S(6)和S(8)环模式。在分子A中，其中一个苯环在两个位置上无序，占位因子分别为0.542 (11)和0.458 (11)。在分子A中，中心苯环与两个外部苯环之间的二面角分别为73.88 (9)和82.6 (2)/88.9 (2)°，在分子B中为80.81 (8)和79.38 (8)°。在晶体结构中，分子在(101)平面上形成无限的一维链。晶体结构通过分子间的O-H⋯N、N-H⋯N、N-H⋯O和C-H⋯O氢键、弱C-H⋯π和π-π [质心-质心距离 = 3.5496 (1) Å]相互作用得以稳定。
