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3-Methyl-5-oxo-4-(2-phenyl-hydrazinyl-idene)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.

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 ?-? 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].

SUBMITTER: Fun HK

PROVIDER: S-EPMC3099837 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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3-Methyl-5-oxo-4-(2-phenyl-hydrazinyl-idene)-4,5-dihydro-1H-pyrazole-1-carbothio-amide.

Fun Hoong-Kun HK Asik Safra Izuani Jama SI Razak Ibrahim Abdul IA Shetty Shobhitha S Kalluraya Balakrishna B

Acta crystallographica. Section E, Structure reports online 20110319 Pt 4

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-acti ...[more]

PMID: 21754198

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