Majoumo-Mbe Felicite, Ngwang Nfor Emmanuel, Kenfack Tsobnang Patrice, Nguepmeni Eloundou Valoise Brenda, Ngwain Yong Joseph, Iris Efeti Ikome
Department of Chemistry, University of Buea, PO Box 63 Buea, Cameroon.
Department of Chemistry, University of Dschang, PO Box 67, Dschang, Cameroon.
Acta Crystallogr E Crystallogr Commun. 2019 Jan 22;75(Pt 2):251-254. doi: 10.1107/S2056989019000732. eCollection 2019 Feb 1.
The title compound, CHNS, was synthesized by the condensation reaction of hydralazine and 2-acetyl-thio-phene and during the reaction, a proton transfer from the imino nitro-gen atom to one of the endocylic nitro-gen atoms occurred. The compound crystallizes in the monoclinic crystal system with two independent mol-ecules (mol-ecules 1 and 2) in the asymmetric unit. In each mol-ecule, there is a slight difference in the orientation of the thio-phene ring with respect to phthalazine ring system, mol-ecule 1 showing a dihedral angle of 42.51 (1)° compared to 8.48 (1)° in mol-ecule 2. This implies an r.m.s deviation of 0.428 (1) Å between the two mol-ecules for the 19 non-H atoms. The two independent mol-ecules are connected two N-H⋯N hydrogen bonds, forming dimers which inter-act by two bifurcated π-π stacking inter-actions to build tetra-meric motifs. The latter are packed in the plane weak C-H⋯π inter-actions and along the axis C-H ⋯N and C-H⋯π inter-actions. This results a three-dimensional architecture with a tilted herringbone packing mode.
标题化合物CHNS是由肼苯哒嗪与2-乙酰基噻吩经缩合反应合成的，反应过程中发生了质子从亚氨基氮原子转移到一个内环氮原子上的现象。该化合物以单斜晶系结晶，不对称单元中有两个独立分子（分子1和分子2）。在每个分子中，噻吩环相对于酞嗪环系的取向略有差异，分子1的二面角为42.51 (1)°，而分子2中为8.48 (1)°。这意味着两个分子中19个非氢原子的均方根偏差为0.428 (1) Å。两个独立分子通过两个N-H⋯N氢键相连，形成二聚体，二聚体通过两个分叉的π-π堆积相互作用相互作用，形成四聚体基序。后者通过弱C-H⋯π相互作用在平面堆积，沿轴通过C-H⋯N和C-H⋯π相互作用堆积。这导致形成具有倾斜人字形堆积模式的三维结构。
