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本文引用的文献

1
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.

4-肼基-1-甲基-吡唑并[3,4-d]嘧啶

4-Hydrazino-1-methyl-pyrazolo[3,4-d]pyrimidine.

作者信息

Dolzhenko Anton V, Pastorin Giorgia, Dolzhenko Anna V, Tan Geok Kheng, Koh Lip Lin

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 1;65(Pt 8):o1720-1. doi: 10.1107/S1600536809023952.

DOI:10.1107/S1600536809023952
PMID:21583438
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977168/
Abstract

The title compound, C(6)H(8)N(6), crystallizes as an N-H⋯N hydrogen-bond-linked dimer of two almost identical mol-ecules in the asymmetric unit. Both of the mol-ecules are almost planar (rms deviations of 0.0186 and 0.0296 Å in the two molecules) and their hydrazino groups are turned towards the pyrazole rings. The dimers are arranged into chains via inter-molecular N-H⋯N hydrogen bonds between the hydrazino groups and the N atoms of the pyrimidine rings of both types of the mol-ecules, linking the mol-ecules into a C(7) graph-set motif along [100]. The methyl groups and the N atoms of the pyrazole rings form weak C-H⋯N hydrogen bonds, which connect chains of the dimers in a C(4) motif parallel to [100].

摘要

标题化合物C(6)H(8)N(6)在不对称单元中以两个几乎相同分子通过N-H⋯N氢键相连的二聚体形式结晶。两个分子几乎都是平面的(两个分子中的均方根偏差分别为0.0186和0.0296 Å),且它们的肼基朝向吡唑环。二聚体通过两种分子的肼基与嘧啶环的N原子之间的分子间N-H⋯N氢键排列成链,沿[100]方向将分子连接成C(7)图集 motif。吡唑环的甲基和N原子形成弱C-H⋯N氢键,这些氢键以平行于[100]的C(4) motif连接二聚体链。