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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...

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Detalles Bibliográficos
Autores principales: Sheikh, Tasneem Ullah, Khan, Misbahul Ain, Arshad, Muhammad Nadeem, Khan, Islam Ullah, Stoeckli-Evans, Helen
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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
Descripción
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.