3-Isobutyl-4-phenylsulfanyl-1H-pyrazol-5-ol
3-Isobutyl-4-phenylsulfanyl-1H-pyrazol-5-ol
Blog Article
The asymmetric unit of the title compound, C13H16N2OS, contains two independent molecules (A and B).The pyrazole ring [maximum horse/bits 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, Originals Cardigan generating an R22(8) ring motif.These ring motifs are further linked into two-dimensional 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 [centroid–centroid distances = 3.
5698 (13) and 3.5287 (12) Å].