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Shahani T, Fun H.-K, Ragavan R.V, ,
Published in International Union of Crystallography (IUCr)
Volume: 67
Issue: 2
Pages: o463 - o464
The asymmetric unit of the title compound, C13H 16N2OS, contains two independent molecules (A and B). The pyrazole ring [maximum deviations = 0.0049 (17) Å in molecule A and 0.0112 (19) Å in molecule B] makes a dihedral angle of 70.23 (11) and 73.18 (12)° with the phenyl ring in molecules A and B, respectively. The isobutyl group in molecule B is disordered over two sets of sites with a ratio of refined occupancies of 0.858 (5):0.142 (5). In the crystal, molecules A and B are linked via a pair of intermolecular N -H⋯O hydrogen bonds, generating an R 2 2(8) ring motif. These ring motifs are further linked into twodimensional arrays parallel to the bc plane by intermolecular N -H⋯O and weak C -H⋯S hydrogen bonds. The crystal is further stablized by weak π-π interactions [centroidcentroid distances = 3.5698 (13) and 3.5287 (12) Å].
About the journal
JournalActa Crystallographica Section E Structure Reports Online
PublisherInternational Union of Crystallography (IUCr)
Open AccessNo