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3,5-二苯基-1-(喹啉-2-基)-4,5-二氢-1H-吡唑-5-醇

3,5-Diphenyl-1-(quinolin-2-yl)-4,5-dihydro-1H-pyrazol-5-ol.

作者信息

Najib Muhd Hidayat Bin, Tan Ai Ling, Young David J, Ng Seik Weng, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2310-1. doi: 10.1107/S1600536812029340. Epub 2012 Jul 4.

DOI:10.1107/S1600536812029340
PMID:22904787
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414180/
Abstract

In the title compound, C(24)H(19)N(3)O, the pyrazole ring is close to being planar (r.m.s. deviation of the five fitted atoms = 0.062 Å), and each of the N-bound quinoline ring [dihedral angle = 9.90 (7)°] and the C-bound phenyl ring in the 3-position is close to being coplanar [dihedral angle = 8.87 (9)°]. However, the phenyl ring in the 5-position forms a dihedral angle of 72.31 (9)°. The hy-droxy group forms an intra-molecular hydrogen bond to the quinoline N atom. In the crystal, mol-ecules are connected into supra-molecular layers two mol-ecules thick in the bc plane by C-H⋯O and C-H⋯π inter-actions.

摘要

在标题化合物C₂₄H₁₉N₃O中，吡唑环接近平面结构（五个拟合原子的均方根偏差 = 0.062 Å），与氮相连的喹啉环[二面角 = 9.90 (7)°]和3位上与碳相连的苯环都接近共平面[二面角 = 8.87 (9)°]。然而，5位上的苯环形成的二面角为72.31 (9)°。羟基与喹啉氮原子形成分子内氢键。在晶体中，分子通过C—H⋯O和C—H⋯π相互作用在bc平面上连接成两层厚的超分子层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/767c/3414180/f5af3a17cc50/e-68-o2310-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/767c/3414180/679b6e84ae30/e-68-o2310-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/767c/3414180/3ed85fbd3b37/e-68-o2310-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/767c/3414180/f5af3a17cc50/e-68-o2310-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/767c/3414180/679b6e84ae30/e-68-o2310-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/767c/3414180/3ed85fbd3b37/e-68-o2310-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/767c/3414180/f5af3a17cc50/e-68-o2310-fig3.jpg

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本文引用的文献

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2-Hydrazinyl-quinoline.2-肼基喹啉
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Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-κN(2))quinoline-κN]zinc.
二氯[2-(3,5-二甲基-1H-吡唑-1-基-κN(2))喹啉-κN]锌
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Spectroscopic and physicochemical studies on nickel(II) complexes of isatin-3,2'-quinolyl-hydrazones and their adducts.异吲哚酮-3,2'-喹啉腙及其加合物的镍（II）配合物的光谱和物理化学研究
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