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3-氨基吡嗪-2-羧酸

3-Aminopyrazine-2-carboxylic acid.

作者信息

Dobson A J, Gerkin R E

机构信息

Department of Chemistry, Ohio State University, Columbus 43210, USA.

出版信息

Acta Crystallogr C. 1996 Jun 15;52 ( Pt 6):1512-4. doi: 10.1107/s0108270195016416.

DOI:10.1107/s0108270195016416
PMID:8766897
Abstract

3-Aminopyrazine-2-carboxylic acid, C5H5N3O2, displays an extensive network of intra- and intermolecular hydrogen bonds which are undoubtedly responsible for the modest values of the displacement parameters. H-atom transfer to the ring N atoms did not occur and the carboxy and amino H atoms are ordered. The virtually planar molecules lie very nearly in planes parallel to (102) and are stacked along the a direction with separations of 3.324 (2) A indicating pi-pi interactions.

摘要

3-氨基吡嗪-2-羧酸(C₅H₅N₃O₂)呈现出广泛的分子内和分子间氢键网络,这无疑是位移参数值适中的原因。氢原子未转移至环氮原子,羧基氢原子和氨基氢原子呈有序排列。这些近乎平面的分子几乎位于平行于(102)的平面内,并沿a方向堆积,间距为3.324(2) Å,表明存在π-π相互作用。

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