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4-[(4-氯苯基)(5-羟基-3-甲基-1-苯基-1H-吡唑-4-基)甲基]-5-甲基-2-苯基-1H-吡唑-3(2H)-酮

4-[(4-Chloro-phen-yl)(5-hydr-oxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)meth-yl]-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one.

作者信息

Fun Hoong-Kun, Jebas Samuel Robinson, Girish K S, Kalluraya B

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2301-2. doi: 10.1107/S1600536808036088.

DOI:10.1107/S1600536808036088
PMID:21581279
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2959842/
Abstract

In the the title compound, C(27)H(23)ClN(4)O(2), the chloro-phenyl ring forms dihedral angles of 77.70 (9) and 86.65 (9)°, respectively, with the pyrazol-3-one and pyrazole rings. The phenyl rings attached to the pyrazole rings are twisted away from them [dihedral angles 33.80 (9) and 40.34 (10)°]. An intramolecular O-H⋯O hydrogen bond generates an S(8) ring motif. The mol-ecules are linked into chains running along the c axis by N-H⋯N hydrogen bonds, and the chains are cross-linked via C-H⋯O hydrogen bonds and C-H⋯π inter-actions involving the chloro-phenyl ring.

摘要

在标题化合物C(27)H(23)ClN(4)O(2)中，氯苯环与吡唑-3-酮环和吡唑环分别形成77.70 (9)°和86.65 (9)°的二面角。连接到吡唑环上的苯环与它们扭转开[二面角为33.80 (9)°和40.34 (10)°]。分子内的O-H⋯O氢键形成一个S(8)环模式。分子通过N-H⋯N氢键连接成沿c轴延伸的链，并且这些链通过C-H⋯O氢键和涉及氯苯环的C-H⋯π相互作用交联。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/08cd/2959842/d957065f33cb/e-64-o2301-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/08cd/2959842/c41b541d2807/e-64-o2301-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/08cd/2959842/d957065f33cb/e-64-o2301-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/08cd/2959842/c41b541d2807/e-64-o2301-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/08cd/2959842/d957065f33cb/e-64-o2301-fig2.jpg

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