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3,3',3''-[(1,3,5-三嗪-2,4,6-三基)三(氧代)]三(5,5-二甲基环己-2-烯-1-酮)的晶体结构和 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of 3,3',3''-[(1,3,5-triazine-2,4,6-tri-yl)tris-(-oxy)]tris-(5,5-di-methyl-cyclo-hex-2-en-1-one).

作者信息

Atioğlu Zeliha, Akkurt Mehmet, Toze Flavien A A, Mammadova Gunay Z, Panahova Humay M

机构信息

İlke Education and Health Foundation, Cappadocia University, Cappadocia Vocational College, The Medical Imaging Techniques Program, 50420 Mustafapaşa, Ürgüp, Nevşehir, Turkey.

Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Jun 28;74(Pt 7):1035-1038. doi: 10.1107/S2056989018009003. eCollection 2018 Jul 1.

DOI:10.1107/S2056989018009003
PMID:30002911
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6038646/
Abstract

The three cyclo-hexenone rings of the title compound, CHNO, adopt slightly distorted envelope conformations, with the C atom bearing two methyl groups as the flap atom in each case. These cyclo-hexenone mean planes form dihedral angles of 87.41 (11), 70.73 (11) and 70.47 (11)° with the 1,3,5-triazine ring, while the dihedral angle between the cyclo-hexenone mean planes are 57.52 (12), 23.75 (12) and 53.21 (12)°. In the crystal, mol-ecules are linked C-H⋯O hydrogen bonds, forming a three-dimensional network.

摘要

标题化合物CHNO的三个环己烯酮环采取略有扭曲的信封构象，在每种情况下，带有两个甲基的C原子作为折叶原子。这些环己烯酮平均平面与1,3,5-三嗪环形成的二面角分别为87.41 (11)、70.73 (11)和70.47 (11)°，而环己烯酮平均平面之间的二面角为57.52 (12)、23.75 (12)和53.21 (12)°。在晶体中，分子通过C-H⋯O氢键相连，形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3039/6038646/e6f6a38bafda/e-74-01035-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3039/6038646/415ea3ffb6e2/e-74-01035-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3039/6038646/ef1d12961e51/e-74-01035-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3039/6038646/3914dd73ffc4/e-74-01035-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3039/6038646/ec394d5a21a7/e-74-01035-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3039/6038646/e6f6a38bafda/e-74-01035-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3039/6038646/415ea3ffb6e2/e-74-01035-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3039/6038646/ef1d12961e51/e-74-01035-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3039/6038646/3914dd73ffc4/e-74-01035-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3039/6038646/ec394d5a21a7/e-74-01035-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3039/6038646/e6f6a38bafda/e-74-01035-fig5.jpg

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