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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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 |
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. |
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