{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["67(Pt 4)"],"submitter":["Fun HK"],"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]."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o928"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC3099837"],"repository":["biostudies-literature"],"pubmed_title":["3-Methyl-5-oxo-4-(2-phenyl-hydrazinyl-idene)-4,5-dihydro-1H-pyrazole-1-carbothio-amide."],"pmcid":["PMC3099837"],"pubmed_authors":["Shetty S","Fun HK","Razak IA","Asik SI","Kalluraya B"],"additional_accession":[]},"is_claimable":false,"name":"3-Methyl-5-oxo-4-(2-phenyl-hydrazinyl-idene)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.","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].","dates":{"release":"2011-01-01T00:00:00Z","publication":"2011 Apr","modification":"2025-04-04T23:26:40.353Z","creation":"2019-03-26T23:59:22Z"},"accession":"S-EPMC3099837","cross_references":{"pubmed":["21754198"],"doi":["10.1107/S1600536811009779"]}}