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1-(5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)ethanone: a new monoclinic polymorph
The title compound, C(12)H(12)N(2)O(2), crystallized in the monolinic space group P2(1)/n, with two independent molecules (A and B) in the asymmetric unit. This is in contrast to the first monoclinic polymorph reported [Cingolani et al. (2002 ▶). Inorg. Chem. 41, 1151–116], which crystallized in th...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968401/ https://www.ncbi.nlm.nih.gov/pubmed/21581934 http://dx.doi.org/10.1107/S1600536809001470 |
Sumario: | The title compound, C(12)H(12)N(2)O(2), crystallized in the monolinic space group P2(1)/n, with two independent molecules (A and B) in the asymmetric unit. This is in contrast to the first monoclinic polymorph reported [Cingolani et al. (2002 ▶). Inorg. Chem. 41, 1151–116], which crystallized in the space group C2/c with one independent molecule per asymmetric unit. The dihedral angles between the two rings differ slightly; in molecule A it is 4.90 (11)° and in molecule B it is 16.05 (13)°. In both molecules, there is an intramolecular O—H⋯O hydrogen bond involving the hydroxyl substituent and the carbonyl O atom of the adjacent acetyl group. In the crystal structure, molecules A and B are linked via a C—H⋯N interaction. There are also some weak C—H⋯π interactions involving the phenyl ring of molecule A and H atoms of the acetyl groups of both molecules. |
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