Suppr超能文献

2,6-双-[(5-氯-4,6-二甲氧基嘧啶-2-基)氧基]苯甲酸甲酯

Methyl 2,6-bis-[(5-chloro-4,6-dimeth-oxy-pyrimidin-2-yl)-oxy]benzoate.

作者信息

Fun Hoong-Kun, Goh Jia Hao, Rai Sankappa, Isloor Arun M, Shetty Prakash

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 30;66(Pt 7):o1869-70. doi: 10.1107/S1600536810024785.

Abstract

In the title compound, C(20)H(18)Cl(2)N(4)O(8), the two pyrimidine rings are inclined at dihedral angles of 66.68 (5) and 71.91 (6)° with respect to the central benzene ring. In the crystal structure, inter-molecular C-H⋯N hydrogen bonds link neighbouring mol-ecules into a ribbon-like structure along the b axis. The ribbons are inter-connected into a two-dimensional network parallel to the bc plane by short inter-molecular Cl⋯Cl [3.4427 (6) Å] and Cl⋯O [3.1420 (9) and 3.1750 (11) Å] inter-actions. The crystal structure is further stabilized by inter-molecular π-π inter-actions [centroid-centroid distance 3.4552 (8) Å] involving the pyrimidine rings.

摘要

在标题化合物C₂₀H₁₈Cl₂N₄O₈中,两个嘧啶环相对于中心苯环的二面角分别为66.68(5)°和71.91(6)°。在晶体结构中,分子间的C—H⋯N氢键将相邻分子沿b轴连接成带状结构。这些带通过短的分子间Cl⋯Cl [3.4427(6)Å]和Cl⋯O [3.1420(9)和3.1750(11)Å]相互作用连接成平行于bc平面的二维网络。晶体结构通过涉及嘧啶环的分子间π-π相互作用[质心-质心距离3.4552(8)Å]进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a7ba/3006847/74f11a802db9/e-66-o1869-fig1.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验