Aliyeva Fargana S, Mammadova Gunay Z, Akkurt Mehmet, Çelikesir Sevim Türktekin, Bhattarai Ajaya
Excellence Center, Baku State University, Z. Xalilov Str. 23, Az 1148 Baku, Azerbaijan.
Organic Chemistry Department, Baku State University, Z. Xalilov Str. 23, Az 1148 Baku, Azerbaijan.
Acta Crystallogr E Crystallogr Commun. 2023 Aug 4;79(Pt 9):795-799. doi: 10.1107/S205698902300676X. eCollection 2023 Sep 1.
The title compound, CHINO·CHO, crystallizes in the triclinic space group with one independent mol-ecule and one ethanol solvent mol-ecule in the asymmetric unit. The benzene ring and the methyl-carbonohydrazonoyl dicyanide group of the main mol-ecule makes a dihedral angle of 57.91 (16)°. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link pairs of mol-ecules, forming dimers with (14) motifs. These dimers are connected by O-H⋯O hydrogen bonds into chains along the axis direction, forming (16) ring motifs. Further O-H⋯O inter-actions involving the ethanol solvent mol-ecule connect the chains into a three-dimensional network. In addition, C-I⋯π inter-actions are observed. The inter-molecular inter-actions in the crystal structure were qu-anti-fied and analysed using Hirshfeld surface analysis.
标题化合物CHINO·CHO以三斜晶系空间群结晶，不对称单元中有一个独立分子和一个乙醇溶剂分子。主分子的苯环与甲基碳酰肼基二氰化物基团形成的二面角为57.91 (16)°。在晶体中，O-H⋯O和N-H⋯O氢键连接分子对，形成具有(14) motif的二聚体。这些二聚体通过O-H⋯O氢键沿轴方向连接成链，形成(16)环motif。涉及乙醇溶剂分子的进一步O-H⋯O相互作用将链连接成三维网络。此外，还观察到C-I⋯π相互作用。利用Hirshfeld表面分析对晶体结构中的分子间相互作用进行了量化和分析。
