Wardell Solange M S V, Tiekink Edward R T, Wardell James L
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1086-7. doi: 10.1107/S1600536812010598. Epub 2012 Mar 17.
In the title mol-ecule, C(22)H(17)N(3)O(5)S, the pyrazole ring is planar (r.m.s. deviation = 0.018 Å) and forms dihedral angles of 21.45 (10) and 6.96 (10)° with the N- and C-bound benzene rings, respectively. Supra-molecular layers in the bc plane are formed in the crystal via C-H⋯O and π-π inter-actions involving the sulfonamide benzene ring inter-acting with the N- and C-bound benzene rings [centroid-centroid distances = 3.790 (2) and 3.730 (2) Å, respectively]. The crystal studied was found to be a merohedral twin (twin law 1 0 0.678, 0 -1 0, 0 0 -1), the fractional contribution of the minor component being approximately 36%.
在标题分子C₂₂H₁₇N₃O₅S中，吡唑环是平面的（均方根偏差 = 0.018 Å），分别与与氮原子和碳原子相连的苯环形成21.45 (10)°和6.96 (10)°的二面角。晶体中通过C—H⋯O和π–π相互作用在bc平面上形成超分子层，其中涉及磺酰胺苯环与与氮原子和碳原子相连的苯环之间的相互作用[质心间距分别为3.790 (2) 和3.730 (2) Å]。研究发现所研究的晶体是一个半面孪晶（孪晶法则为1 0 0.678, 0 -1 0, 0 0 -1），次要组分的分数贡献约为36%。
