5-乙酰基-3-(5-苯基-1H-吡唑-3-基)-1,3,4-噻二唑-2(3H)-酮一水合物
5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia-diazol-2(3H)-one monohydrate.
作者信息
Asiri Abdullah M, Arshad Muhammad Nadeem, Obaid Abdullah Y, Mustafa Ghulam
机构信息
Chemistry Department, Faculty of Science, King Abdulaziz University, PO Box 80203, Jeddah 21589, Saudi Arabia ; Center of Excellence for Advanced Materials Research (CEAMR), Faculty of Science, King Abdulaziz University, PO Box 80203, Jeddah 21589, Saudi Arabia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 27;69(Pt 5):o798. doi: 10.1107/S1600536813010817. Print 2013 May 1.
In the title hydrate, C13H10N4O2S·H2O, the dihedral angles between the central pyrazole ring and its pendant phenyl and thia-diazole rings are 9.93 (8) and 4.56 (7)°, respectively. In the crystal, the components are linked by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, generating [100] chains incorporating R 4 (4)(10) loops. A weak C-H⋯O inter-action helps to consolidate the packing.
在标题水合物C₁₃H₁₀N₄O₂S·H₂O中，中心吡唑环与其相连的苯环和噻二唑环之间的二面角分别为9.93 (8)°和4.56 (7)°。在晶体中，各组分通过N—H⋯O、O—H⋯N和O—H⋯O氢键相连，形成包含R 4 (4)(10)环的[100]链。一种弱的C—H⋯O相互作用有助于巩固堆积。
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