5-氨基-1-苯基-1H-吡唑-4-羧酸
5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid.
作者信息
Zia-Ur-Rehman Muhammad, Elsegood Mark R J, Akbar Nosheen, Shah Zaib Saleem Rahman
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 21;64(Pt 7):o1312-3. doi: 10.1107/S1600536808018394.
Abstract
In the mol-ecule of the title compound, C(10)H(9)N(3)O(2), the pyrazole ring is approximately coplanar with the amino and carboxyl groups. The phenyl group is twisted by 48.13 (3)° relative to this plane. An intra-molecular N-H⋯O hydrogen bond stabilizes the planar conformation of the mol-ecule. The mol-ecules are linked into two-dimensional sheets by two strong inter-molecular N-H⋯N and O-H⋯O hydrogen bonds. The latter forms the classic carboxylic acid dimer motif.
摘要
在标题化合物C(10)H(9)N(3)O(2)的分子中，吡唑环与氨基和羧基近似共平面。苯基相对于该平面扭转了48.13 (3)°。分子内的N-H⋯O氢键稳定了分子的平面构象。分子通过两个强的分子间N-H⋯N和O-H⋯O氢键连接成二维片层。后者形成了经典的羧酸二聚体结构单元。
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