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N-环己基-N-{[3-(4,6-二甲氧基嘧啶-2-基氧基)吡啶-2-基]甲基}-4,6-二甲氧基嘧啶-2-胺

N-Cyclo-hexyl-N-{[3-(4,6-dimeth-oxy-pyrimidin-2-yl-oxy)pyridin-2-yl]meth-yl}4,6-dimeth-oxy-pyrimidin-2-amine.

作者信息

Wang De-Cai, Wang Yu-Jing, Song Jun-Song, Wei Ping, Ou-Yang Ping-Kai

机构信息

State Key Laboratory of Materials-Oriented Chemical Engineering, School of Pharmaceutical Sciences, Nanjing University of Technology, Xinmofan Road No. 5 Nanjing, Nanjing 210009, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1272. doi: 10.1107/S1600536812013104. Epub 2012 Mar 31.

DOI:10.1107/S1600536812013104
PMID:22606199
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344196/
Abstract

In the title compound, C(24)H(30)N(6)O(5), the cyclo-hexyl ring adopts a chair conformation, while the remainder of the mol-ecule adopts a U-shape. The dihedral angles between the pyridine ring and the pendant pyrimidine rings are 69.04 (12) and 75.99 (9)°. The two pyrimidine rings, however, are nearly parallel to one another, with a dihedral angle of 8.56 (15)° between them. They are also involved in an intra-molecular π-π stacking inter-action with a distance of 3.6627 (18) Å between the ring centroids. In the crystal, C-H⋯O contacts link the mol-ecules into chains along the b axis.

摘要

在标题化合物C₂₄H₃₀N₆O₅中，环己基环呈椅式构象，而分子的其余部分呈U形。吡啶环与悬垂嘧啶环之间的二面角分别为69.04 (12)°和75.99 (9)°。然而，两个嘧啶环几乎相互平行，它们之间的二面角为8.56 (15)°。它们还参与了分子内的π-π堆积相互作用，环心之间的距离为3.6627 (18) Å。在晶体中，C—H⋯O接触将分子沿b轴连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5627/3344196/0be6e8da11c4/e-68-o1272-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5627/3344196/0be6e8da11c4/e-68-o1272-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5627/3344196/0be6e8da11c4/e-68-o1272-fig1.jpg

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