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Shahani T, Fun HK, Ragavan RV, et al. 3-Isobutyl-4-phenyl-sulfan-yl-1H-pyrazol-5-ol. Acta Crystallogr Sect E Struct Rep Online. 2011;67:o463-4doi: 10.1107/S1600536811002170.
Shahani, T., Fun, H. K., Ragavan, R. V., Vijayakumar, V., & Sarveswari, S. (2011). 3-Isobutyl-4-phenyl-sulfan-yl-1H-pyrazol-5-ol. Acta crystallographica. Section E, Structure reports online, 67o463-4. https://doi.org/10.1107/S1600536811002170
Shahani, Tara, et al. "3-Isobutyl-4-phenyl-sulfan-yl-1H-pyrazol-5-ol." Acta crystallographica. Section E, Structure reports online vol. 67 (2011): o463-4. doi: https://doi.org/10.1107/S1600536811002170
Shahani T, Fun HK, Ragavan RV, Vijayakumar V, Sarveswari S. 3-Isobutyl-4-phenyl-sulfan-yl-1H-pyrazol-5-ol. Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 22;67:o463-4. doi: 10.1107/S1600536811002170. PMID: 21523124; PMCID: PMC3051470.
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Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 22;67:o463-4. doi: 10.1107/S1600536811002170.

3-Isobutyl-4-phenyl-sulfan-yl-1H-pyrazol-5-ol.

Acta crystallographica. Section E, Structure reports online

Tara Shahani, Hoong-Kun Fun, R Venkat Ragavan, V Vijayakumar, S Sarveswari

PMID: 21523124 PMCID: PMC3051470 DOI: 10.1107/S1600536811002170

Abstract

The asymmetric unit of the title compound, C(13)H(16)N(2)OS, contains two independent mol-ecules (A and B). The pyrazole ring [maximum deviations = 0.0049 (17) Å in mol-ecule A and 0.0112 (19) Å in mol-ecule B] makes a dihedral angle of 70.23 (11) and 73.18 (12)° with the phenyl ring in mol-ecules A and B, respectively. The isobutyl group in mol-ecule B is disordered over two sets of sites with a ratio of refined occupancies of 0.858 (5):0.142 (5). In the crystal, mol-ecules A and B are linked via a pair of inter-molecular N-H⋯O hydrogen bonds, generating an R(2) (2)(8) ring motif. These ring motifs are further linked into two-dimensional arrays parallel to the bc plane by inter-molecular N-H⋯O and weak C-H⋯S hydrogen bonds. The crystal is further stablized by weak π-π inter-actions [centroid-centroid distances = 3.5698 (13) and 3.5287 (12) Å].

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