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4-Methyl-5-phenyl-1H-pyrazol-3(2H)-one.

Loh WS, Fun HK, Ragavan RV, Vijayakumar V, Sarveswari S - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: In mol-ecule B, the dihedral angle formed between the pyrazole ring [maximum deviation = 0.017 (1) Å] and the phenyl ring is 41.19 (6)°.In the crystal, inter-molecular N-H⋯O hydrogen bonds link neighbouring mol-ecules into dimers generating R(2) (2)(8) ring motifs.These dimers are linked into ribbons along [101] via inter-molecular N-H⋯O hydrogen bonds, forming R(4) (2)(10) ring motifs.

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ABSTRACT
The asymmetric unit of the title compound, C(10)H(10)N(2)O, contains two crystallographically independent mol-ecules with similar geometries, which exist in the keto form. The C=O bond lengths are 1.2878 (12) Å in mol-ecule A and 1.2890 (12) Å in mol-ecule B, indicating that the compound undergoes enol-to-keto tautomerism during the crystallization process. In mol-ecule A, the pyrazole ring is approximately planar [maximum deviation = 0.007 (1) Å] and forms a dihedral angle of 36.67 (6)° with the attached phenyl ring. In mol-ecule B, the dihedral angle formed between the pyrazole ring [maximum deviation = 0.017 (1) Å] and the phenyl ring is 41.19 (6)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link neighbouring mol-ecules into dimers generating R(2) (2)(8) ring motifs. These dimers are linked into ribbons along [101] via inter-molecular N-H⋯O hydrogen bonds, forming R(4) (2)(10) ring motifs.

No MeSH data available.


The molecular structure of the title compound, showing 50% probability displacement ellipsoids and the atom-numbering scheme.
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Fap1: The molecular structure of the title compound, showing 50% probability displacement ellipsoids and the atom-numbering scheme.


4-Methyl-5-phenyl-1H-pyrazol-3(2H)-one.

Loh WS, Fun HK, Ragavan RV, Vijayakumar V, Sarveswari S - Acta Crystallogr Sect E Struct Rep Online (2010)

The molecular structure of the title compound, showing 50% probability displacement ellipsoids and the atom-numbering scheme.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3050219&req=5

Fap1: The molecular structure of the title compound, showing 50% probability displacement ellipsoids and the atom-numbering scheme.
Bottom Line: In mol-ecule B, the dihedral angle formed between the pyrazole ring [maximum deviation = 0.017 (1) Å] and the phenyl ring is 41.19 (6)°.In the crystal, inter-molecular N-H⋯O hydrogen bonds link neighbouring mol-ecules into dimers generating R(2) (2)(8) ring motifs.These dimers are linked into ribbons along [101] via inter-molecular N-H⋯O hydrogen bonds, forming R(4) (2)(10) ring motifs.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The asymmetric unit of the title compound, C(10)H(10)N(2)O, contains two crystallographically independent mol-ecules with similar geometries, which exist in the keto form. The C=O bond lengths are 1.2878 (12) Å in mol-ecule A and 1.2890 (12) Å in mol-ecule B, indicating that the compound undergoes enol-to-keto tautomerism during the crystallization process. In mol-ecule A, the pyrazole ring is approximately planar [maximum deviation = 0.007 (1) Å] and forms a dihedral angle of 36.67 (6)° with the attached phenyl ring. In mol-ecule B, the dihedral angle formed between the pyrazole ring [maximum deviation = 0.017 (1) Å] and the phenyl ring is 41.19 (6)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link neighbouring mol-ecules into dimers generating R(2) (2)(8) ring motifs. These dimers are linked into ribbons along [101] via inter-molecular N-H⋯O hydrogen bonds, forming R(4) (2)(10) ring motifs.

No MeSH data available.