<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>67(Pt 4)</volume><submitter>Normaya E</submitter><pubmed_abstract>In the title compound, C(13)H(13)N(5)OS·H(2)O, the thio-urea mol-ecules 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 mol-ecules are connected into supra-molecular double chains via a combination of N-H⋯S (linking the two independent mol-ecules), O-H⋯O and O-H⋯N (linking dimeric aggregates into a supra-molecular chain via hy-droxy-water, water-water and water-pyrazine inter-actions) and O-H⋯S hydrogen bonds (connecting two chains). The chains are further connected by C-H⋯N and C-H⋯S inter-actions.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o943-4</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3099853</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>3-(2-Hy-droxy-phen-yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl-idene]amino}-thio-urea monohydrate.</pubmed_title><pmcid>PMC3099853</pmcid><pubmed_authors>Normaya E</pubmed_authors><pubmed_authors>Halim SN</pubmed_authors><pubmed_authors>Tiekink ER</pubmed_authors><pubmed_authors>Farina Y</pubmed_authors></additional><is_claimable>false</is_claimable><name>3-(2-Hy-droxy-phen-yl)-1-{(E)-[1-(pyrazin-2-yl)ethyl-idene]amino}-thio-urea monohydrate.</name><description>In the title compound, C(13)H(13)N(5)OS·H(2)O, the thio-urea mol-ecules 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 mol-ecules are connected into supra-molecular double chains via a combination of N-H⋯S (linking the two independent mol-ecules), O-H⋯O and O-H⋯N (linking dimeric aggregates into a supra-molecular chain via hy-droxy-water, water-water and water-pyrazine inter-actions) and O-H⋯S hydrogen bonds (connecting two chains). The chains are further connected by C-H⋯N and C-H⋯S inter-actions.</description><dates><release>2011-01-01T00:00:00Z</release><publication>2011 Apr</publication><modification>2025-04-04T23:26:47.43Z</modification><creation>2019-03-26T23:59:22Z</creation></dates><accession>S-EPMC3099853</accession><cross_references><pubmed>21754211</pubmed><doi>10.1107/S1600536811010038</doi></cross_references></HashMap>