Atioğlu Zeliha, Akkurt Mehmet, Toze Flavien A A, Huseynov Fatali E, Hajiyeva Sarvinaz F
İlke Education and Health Foundation, Cappadocia University, Cappadocia Vocational College, The Medical Imaging Techniques Program, 50420 Mustafapaşa, Ürgüp, Nevşehir, Turkey.
Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
Acta Crystallogr E Crystallogr Commun. 2018 Jun 28;74(Pt 7):1021-1025. doi: 10.1107/S2056989018009118. eCollection 2018 Jul 1.
In the anion of the title hydrated salt, CHN·CHNOS·2HO, the planes of the phenyl rings and the benzene ring of the 5-nitro-2-oxido-benzene-sulfonate group are inclined to one another by 44.42 (11), 56.87 (11) and 77.70 (12)°. In the crystal, the anions are linked to the cations and the water mol-ecules by N-H⋯O and O-H⋯O hydrogen bonds, forming a three-dimensional network. Furthermore, there are face-to-face π-π stacking inter-actions between the centroids of one phenyl ring and the benzene ring of the 5-nitro-2-oxido-benzene-sulfonate group [centroid-centroid distance = 3.8382 (13) Å and slippage = 1.841 Å]. A Hirshfeld surface analysis was conducted to verify the contributions of the different inter-molecular inter-actions.
在标题水合盐CHN·CHNOS·2HO的阴离子中，苯环平面与5-硝基-2-氧化苯磺酸盐基团的苯环平面相互倾斜44.42 (11)°、56.87 (11)°和77.70 (12)°。在晶体中，阴离子通过N-H⋯O和O-H⋯O氢键与阳离子和水分子相连，形成三维网络。此外，一个苯环的质心与5-硝基-2-氧化苯磺酸盐基团的苯环之间存在面对面的π-π堆积相互作用[质心-质心距离 = 3.8382 (13) Å，滑移 = 1.841 Å]。进行了 Hirshfeld 表面分析以验证不同分子间相互作用的贡献。
