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Crystal structure of nuarimol.

作者信息

Kang Gihaeng, Kim Jineun, Park Hyunjin, Kim Tae Ho

机构信息

Department of Chemistry and Research Institute of Natural Sciences, Gyeongsang National University, Jinju 660-701, Republic of Korea.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Jul 22;71(Pt 8):o586-7. doi: 10.1107/S2056989015013493. eCollection 2015 Aug 1.

Abstract

The title compound [systematic name: (RS)-(2-chloro-phen-yl)(4-fluoro-phen-yl)(pyrimidin-5-yl)methanol], C17H12ClFN2O, is a pyrimidine fungicide. The asymmetric unit comprises two independent mol-ecules, A and B, in which the dihedral angles between the plane of the pyrimidine ring and those of the chloro-phenyl and fluoro-phenyl rings are 71.10 (6) and 70.04 (5)° in mol-ecule A, and 73.24 (5) and 89.30 (5)° in mol-ecule B. In the crystal, O-H⋯N hydrogen bonds link the components into [010] chains of alternating A and B mol-ecules. 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] inter-actions, generating a three-dimensional network.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/214c/4571410/868a23d680f5/e-71-0o586-fig1.jpg

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