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2,6-二氯-7-异丙基-7H-嘌呤

2,6-Dichloro-7-isopropyl-7H-purine.

作者信息

Hloušková Nikola, Rouchal Michal, Nečas Marek, Vícha Robert

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1585. doi: 10.1107/S160053681201879X. Epub 2012 May 2.

DOI:10.1107/S160053681201879X
PMID:22719396
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3379198/
Abstract

In the title mol-ecule, C(8)H(8)Cl(2)N(4), the essentially planar imidazole and pyrimidine rings [maximum deviations of 0.0030 (15) and 0.0111 (15) Å, respectively] make a dihedral angle of 1.32 (8)°. In the crystal, the fused-ring systems are stacked approximately parallel to the bc plane, with a centroid-centroid distance between inversion-related pyrimidine rings of 3.5189 (9) Å.

摘要

在标题分子C₈H₈Cl₂N₄中,基本呈平面状的咪唑环和嘧啶环[最大偏差分别为0.0030 (15) Å和0.0111 (15) Å]形成的二面角为1.32 (8)°。在晶体中,稠环体系大致平行于bc平面堆叠,反演相关嘧啶环之间的质心间距为3.5189 (9) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e178/3379198/1912239dc459/e-68-o1585-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e178/3379198/0a892b9613f2/e-68-o1585-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e178/3379198/1912239dc459/e-68-o1585-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e178/3379198/0a892b9613f2/e-68-o1585-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e178/3379198/1912239dc459/e-68-o1585-fig2.jpg

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