N-(4-Amino-1,2,5-oxadiazol-3-yl)formamide

IUCrData Pub Date : 2025-08-01 DOI:10.1107/S2414314625007205

Firudin I. Guseinov , Tuncer Hökelek , Elena V. Shuvalova , Aida I. Samigullina , Nizami A. Ekberov , Khudayar I. Hasanov , Mohammed Hadi Al-Douh

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Abstract

Two crystallographically independent planar molecules are present in the title compound that differ slightly in some of the bond angles.

The asymmetric unit of the title compound, C₃H₄N₄O₂, contains two coplanar molecules (A and B) 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 molecules into sheets parallel to (010). There are neither significant π–π nor C—H⋯π(ring) interactions. Hirshfeld surface analysis indicates that the most important contributions to the crystal packings of molecules A and B are from H⋯O/O⋯H (32.4% for A, 30.1% for B), H⋯N/N⋯H (28.2%, 31.5%) and H⋯H (12.3%, 8.0%) interactions.

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N -甲酰胺(4-Amino-1 2 5-oxa-diazol-3-yl)。

标题化合物C3H4N4O2的不对称单元包含两个共面分子（A和B），它们完全位于镜像平面上。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）的薄片。没有显著的π-π和C-H⋯π（环）相互作用。Hirshfeld表面分析表明，对分子A和B的晶体堆积最重要的贡献是H⋯O/O⋯H (A为32.4%，B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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