<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>67(Pt 4)</volume><submitter>Fun HK</submitter><pubmed_abstract>In the title compound, C(11)H(11)N(5)OS, the pyrazole ring is approximately planar, with a maximum deviation of 0.010 (2) Å. The dihedral angles between the benzene ring and the pyrazole and carbothio-amide groups are 5.42 (9) and 10.61 (18)°, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are connected by inter-molecular N-H⋯O and C-H⋯S hydrogen bonds, forming R(2) (2)(12) ring motifs. In addition, there is a π-π stacking inter-action [centroid-centroid distance = 3.5188 (11) Å] between the pyrazole and benzene rings. These inter-actions link the mol-ecules into infinite chains along [001].</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o928</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC3099837</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>3-Methyl-5-oxo-4-(2-phenyl-hydrazinyl-idene)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.</pubmed_title><pmcid>PMC3099837</pmcid><pubmed_authors>Shetty S</pubmed_authors><pubmed_authors>Fun HK</pubmed_authors><pubmed_authors>Razak IA</pubmed_authors><pubmed_authors>Asik SI</pubmed_authors><pubmed_authors>Kalluraya B</pubmed_authors></additional><is_claimable>false</is_claimable><name>3-Methyl-5-oxo-4-(2-phenyl-hydrazinyl-idene)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.</name><description>In the title compound, C(11)H(11)N(5)OS, the pyrazole ring is approximately planar, with a maximum deviation of 0.010 (2) Å. The dihedral angles between the benzene ring and the pyrazole and carbothio-amide groups are 5.42 (9) and 10.61 (18)°, respectively. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol-ecules are connected by inter-molecular N-H⋯O and C-H⋯S hydrogen bonds, forming R(2) (2)(12) ring motifs. In addition, there is a π-π stacking inter-action [centroid-centroid distance = 3.5188 (11) Å] between the pyrazole and benzene rings. These inter-actions link the mol-ecules into infinite chains along [001].</description><dates><release>2011-01-01T00:00:00Z</release><publication>2011 Apr</publication><modification>2025-04-04T23:26:40.353Z</modification><creation>2019-03-26T23:59:22Z</creation></dates><accession>S-EPMC3099837</accession><cross_references><pubmed>21754198</pubmed><doi>10.1107/S1600536811009779</doi></cross_references></HashMap>