Abstract
In the title compound, C13H13N5OS·H2O, the thiourea molecules closely resemble each other and are approximately planar; the dihedral angles formed between the terminal benzene rings are 7.88 (8) and 7.20 (8)°, respectively. The observed planarity correlates with the presence of bifurcated N—H⋯(O,N) hydrogen bonds. In the crystal, the molecules are connected into supramolecular double chains via a combination of N—H⋯S (linking the two independent molecules), O—H⋯O and O—H⋯N (linking dimeric aggregates into a supramolecular chain via hydroxy–water, water–water and water–pyrazine interactions) and O—H⋯S hydrogen bonds (connecting two chains). The chains are further connected by C—H⋯N and C—H⋯S interactions.
Highlights
In the title compound, C13H13N5OSH2O, the thiourea molecules closely resemble each other and are approximately planar; the dihedral angles formed between the terminal benzene rings are 7.88 (8) and 7.20 (8), respectively
H atoms treated by a mixture of independent and constrained refinement max = 0.39 e Å3
The observed planarity correlates with the presence of bifurcated
Summary
International Islamic University Malaysia (IIUM), PO Box 141, Kuantan, Malaysia, School of Chemical Sciences and Food Technology, Faculty Science and Technology, Universiti Kebangsaan Malaysia, 43600 UKM Bangi, Selangor, Malaysia, and cDepartment of Chemistry, University of Malaya, 50603 Kuala
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