-（4-氨基-1,2,5-恶二唑-3-基）甲酰胺
-(4-Amino-1,2,5-oxa-diazol-3-yl)formamide.
作者信息
Guseinov Firudin I, Hökelek Tuncer, Shuvalova Elena V, Samigullina Aida I, Ekberov Nizami A, Hasanov Khudayar I, Al-Douh Mohammed Hadi
机构信息
Kosygin State University of Russia, 117997 Moscow, Russian Federation.
N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation.
出版信息
IUCrdata. 2025 Aug 15;10(Pt 8):x250720. doi: 10.1107/S2414314625007205. eCollection 2025 Aug.
The asymmetric unit of the title compound, CHNO, contains two coplanar mol-ecules ( and ) completely located on mirror planes. In the crystal, N-H⋯O, N-H⋯N, C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules into sheets parallel to (010). There are neither significant π-π nor C-H⋯π(ring) inter-actions. Hirshfeld surface analysis indicates that the most important contributions to the crystal packings of mol-ecules and are from H⋯O/O⋯H (32.4% for , 30.1% for ), H⋯N/N⋯H (28.2%, 31.5%) and H⋯H (12.3%, 8.0%) inter-actions.
标题化合物CHNO的不对称单元包含两个共面分子（和），它们完全位于镜面上。在晶体中，N-H⋯O、N-H⋯N、C-H⋯O和C-H⋯N氢键将分子连接成平行于(010)的片层。不存在显著的π-π相互作用或C-H⋯π(环)相互作用。 Hirshfeld表面分析表明，对分子和晶体堆积贡献最大的是H⋯O/O⋯H（分子为32.4%，分子为30.1%）、H⋯N/N⋯H（28.2%，31.5%）和H⋯H（12.3%，8.0%）相互作用。
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