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（2RS）-2-（2,4-二氟苯基）-1- [（4-碘苄基）（甲基）氨基]-3-（1H-1,2,4-三唑-1-基）丙-2-醇

(2RS)-2-(2,4-Difluoro-phen-yl)-1-[(4-iodo-benz-yl)(meth-yl)amino]-3-(1H-1,2,4-tri-azol-1-yl)propan-2-ol.

作者信息

Xiong Hui-Ping, Gao Shou-Hong, Li Chun-Tong, Wu Zhi-Jun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2447-8. doi: 10.1107/S160053681203139X. Epub 2012 Jul 14.

DOI:10.1107/S160053681203139X
PMID:22904893
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414360/
Abstract

IN THE TITLE COMPOUND (COMMON NAME: iodiconazole), C(19)H(19)F(2)IN(4)O, there is an intra-molecular O-H⋯N hydrogen bond and mol-ecules are linked by weak inter-actions only, namely C-H⋯N, C-H⋯O and C-H⋯F hydrogen bonds, and π-electron ring-π-electron ring inter-actions between the triazole rings with centroid-centroid distances of 3.725 (3) Å.

摘要

在标题化合物（通用名：碘康唑）C₁₉H₁₉F₂IN₄O中，存在分子内O—H⋯N氢键，分子仅通过弱相互作用相连，即C—H⋯N、C—H⋯O和C—H⋯F氢键，以及三唑环之间质心间距为3.725（3）Å的π电子环-π电子环相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/070b/3414360/edde3dc3dd99/e-68-o2447-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/070b/3414360/edde3dc3dd99/e-68-o2447-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/070b/3414360/edde3dc3dd99/e-68-o2447-fig1.jpg

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