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1-（2-氯乙基）-1H-吡唑并-[3,4-d]嘧啶-4（5H）-酮

1-(2-Chloro-eth-yl)-1H-pyrazolo-[3,4-d]pyrimidin-4(5H)-one.

作者信息

Khazi Mohammed Iqbal A, Fathima Nikhath, Belavagi Ningaraddi S, Begum Noor Shahina, Khazi I M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2083. doi: 10.1107/S1600536812025184. Epub 2012 Jun 13.

DOI:10.1107/S1600536812025184
PMID:22798764
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393899/
Abstract

In the title compound, C(7)H(7)ClN(4)O, the pyrazolo-pyrimidine ring is essentially planar, the r.m.s. deviation of the fitted atoms being 0.0071 Å. The crystal structure features strong N-H⋯O hydrogen bonds and further consolidated by weak C-H⋯O, C-H⋯N and C-H⋯Cl inter-actions.

摘要

在标题化合物C₇H₇ClN₄O中，吡唑并嘧啶环基本呈平面状，拟合原子的均方根偏差为0.0071 Å。晶体结构具有强N—H⋯O氢键，并通过弱C—H⋯O、C—H⋯N和C—H⋯Cl相互作用进一步巩固。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8fff/3393899/9451c5a6ef25/e-68-o2083-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8fff/3393899/bc98f2136b09/e-68-o2083-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8fff/3393899/9451c5a6ef25/e-68-o2083-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8fff/3393899/bc98f2136b09/e-68-o2083-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8fff/3393899/9451c5a6ef25/e-68-o2083-fig2.jpg

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本文引用的文献

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A short history of SHELX.SHELX简史。
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