5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia-diazol-2(3H)-one monohydrate

Abdullah M Asiri; Muhammad Nadeem Arshad; Abdullah Y Obaid; Ghulam Mustafa

doi:10.1107/S1600536813010817

5-Acetyl-3-(5-phenyl-1H-pyrazol-3-yl)-1,3,4-thia-diazol-2(3H)-one monohydrate

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 27;69(Pt 5):o798. doi: 10.1107/S1600536813010817. Print 2013 May 1.

Authors

Abdullah M Asiri¹, Muhammad Nadeem Arshad, Abdullah Y Obaid, Ghulam Mustafa

Affiliation

¹ 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.

Abstract

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.