Khotchasanthong Kenika, Jittirattanakun Siripak, Chainok Kittipong
Multifunctional Crystalline Materials and Applications, Division of Chemistry, Faculty of Science and Technology, Thammasat University, Khlong Luang, Pathum Thani, 12121, Thailand.
Multifunctional Crystalline Materials and Applications, Materials and Textile Technology, Faculty of Science and Technology, Thammasat University, Khlong Luang, Pathum Thani, 12121, Thailand.
Acta Crystallogr E Crystallogr Commun. 2020 Mar 3;76(Pt 4):473-476. doi: 10.1107/S2056989020002765. eCollection 2020 Apr 1.
In the title compound, CHN·2HO or Hbmtz·2HO [bmtz = 3,6-bis-(2'-pyrimid-yl)-1,2,4,5-tetra-zine], the asymmetric unit consists of one-half mol-ecule of Hbmtz and one water mol-ecule, the whole Hbmtz mol-ecule being generated by a crystallographic twofold rotation axis passing through the middle point of the 1,4-di-hydro-1,2,4,5-tetra-zine moiety. In the crystal, N-H⋯O, N-H⋯N, O-H⋯O hydrogen bonds and aromatic π-π stacking inter-actions link the components into a three-dimensional supra-molecular network. Hirshfeld surface analysis was used to further investigate the inter-molecular inter-actions in the crystal structure.
在标题化合物CHN·2HO或Hbmtz·2HO [bmtz = 3,6-双-(2'-嘧啶基)-1,2,4,5-四嗪]中，不对称单元由半个Hbmtz分子和一个水分子组成，整个Hbmtz分子由一个通过1,4-二氢-1,2,4,5-四嗪部分中点的晶体学二重旋转轴生成。在晶体中，N-H⋯O、N-H⋯N、O-H⋯O氢键和芳香π-π堆积相互作用将各组分连接成三维超分子网络。使用 Hirshfeld 表面分析进一步研究晶体结构中的分子间相互作用。
