In the title compound, C11H12N2O 3, the pyrazole ring system is essentially planar [maximum deviation = 0.002 (2) Å] and forms a dihedral angle of 66.93 (9)° with the benzene ring. In the crystal packing, pairs of inter-molecular N - H⋯O and O - H⋯N hydrogen bonds connect neighbouring mol-ecules into dimers, generating R 2 2(10) and R 2 2(8) ring motifs, respectively. The crystal structure is further stabilized by C - H⋯π inter-actions.

Sarveswari S

Department of Chemistry

School of Advanced Sciences

Vellore Campus

Vijayakumar V

Shahani T

Fun H.-K

Ragavan R.V

Fulltext

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5-Methoxy-methyl-4-phen-oxy-1H-pyrazol-3-ol.

Acta Crystallographica Section E Structure Reports Online

In the title compound, C17H15FN2O 2, the essentially planar pyrazole ring [maximum deviation = 0.026 (1) Å] makes dihedral angles of 72.06 (7) and 33.05 (7)°, with the phenyl and fluorobenzene rings, respectively. The dihedral angle between the two sixmembered rings is 87.88 (7)°. In the crystal, intermolecular N -H⋯O and C -H⋯F hydrogen bonds link the molecules into layers lying parallel to the bc plane.

5-Ethyl-2-(4-fluorophenyl)-4-phenoxy-1H-pyrazol-3(2H)-one

The asymmetric unit of the title compound, C 23H 23ClFN5O 2, contains two crystallographically independent mol-ecules. In one mol-ecule, the pyrazole ring makes dihedral angles of 43.93 (7) and 35.82 (7)°, respectively, with the fluoro- and chloro-substituted benzene rings, while the corresponding angles in the other mol-ecule are 52.26 (8) and 36.85 (7)°. The piperazine rings adopt chair conformations. In the crystal, adjacent mol-ecules are connected via inter-molecular N - H⋯O, C - H⋯F, C - H⋯N and C - H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. The crystal structure is further stabilized by a weak π-π inter-action with a centroid-centroid distance of 3.6610 (8) Å and by C - H⋯π inter-actions. © Shahani et al. 2011.

4-{[5-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-3-yl]carbonyl}-N-ethylpiperazine-1-carboxamide

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].

3-Isobutyl-4-phenylsulfanyl-1H-pyrazol-5-ol

In the title compound, C11H12N2OS, the pyrazole ring makes a dihedral angle of 85.40 (8)° with the phenyl ring. In the crystal, intermolecular N - H⋯O and C - H⋯O hydrogen bonds link molecules into a two-dimensional network parallel to the bc plane.

1,3-Dimethyl-4-phenylsulfanyl-1H-pyrazol-5-ol

The title compound, C16H13FN2OS, has undergone enol-to-keto tautomerism during the crystallization process. The 1H-pyrazole-5-one ring [maximum deviation = 0.0198 (11) Å] is inclined at angles of 33.10 (5) and 79.57 (5)° with respect to the fluoro-phenyl [maximum deviation = 0.0090 (12) Å] and phenyl-thiol [maximum deviation = 0.0229 (3) Å] rings attached to it. In the crystal, neighbouring mol-ecules are linked into inversion dimers, generating R 2 2(8) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the bc plane via inter-molecular N - H⋯O, C - H⋯F and C - H⋯O hydrogen bonds. The crystal is further stabilized by weak π-π [centroid-centroid distance = 3.6921 (7) Å] and C - H⋯π inter-actions.

Journal	Acta Crystallographica Section E Structure Reports Online
Publisher	International Union of Crystallography (IUCr)
ISSN	16005368
Open Access	No