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Crystal structure of nuarimol

The title compound [systematic name: (RS)-(2-chloro­phen­yl)(4-fluoro­phen­yl)(pyrimidin-5-yl)methanol], C(17)H(12)ClFN(2)O, is a pyrimidine fungicide. The asymmetric unit comprises two independent mol­ecules, A and B, in which the dihedral angles between the plane of the pyrimidine ring and those o...

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Detalles Bibliográficos
Autores principales: Kang, Gihaeng, Kim, Jineun, Park, Hyunjin, Kim, Tae Ho
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571410/
https://www.ncbi.nlm.nih.gov/pubmed/26396810
http://dx.doi.org/10.1107/S2056989015013493
Descripción
Sumario:The title compound [systematic name: (RS)-(2-chloro­phen­yl)(4-fluoro­phen­yl)(pyrimidin-5-yl)methanol], C(17)H(12)ClFN(2)O, is a pyrimidine fungicide. The asymmetric unit comprises two independent mol­ecules, A and B, in which the dihedral angles between the plane of the pyrimidine ring and those of the chloro­phenyl and fluoro­phenyl rings are 71.10 (6) and 70.04 (5)° in mol­ecule A, and 73.24 (5) and 89.30 (5)° in mol­ecule B. In the crystal, O—H⋯N hydrogen bonds link the components into [010] chains of alternating A and B mol­ecules. The chains are cross-linked by C—H⋯F hydrogen bonds and weak C—H⋯π and C—Cl⋯π [Cl⋯ring centroid = 3.7630 (8) Å] inter­actions, generating a three-dimensional network.