Abstract

Specific features of the molecular and crystal structures of two substituted benzoxazinones (I and II) and their structural analog quinazolinone (III) have been analyzed by the XRD method. Compound I exists in two crystalline modifications. All investigated molecules are nonplanar; however, the character of their nonplanarity is different. In molecules I and II, the intramolecular hydrogen bond N–H⋅⋅⋅N rather than the potentially possible bond N–H⋅⋅⋅О is closed. Molecule III also contains the similar hydrogen bond. The occurrence of weak directional interactions in the crystal packings (π–π interactions in I and II and intermolecular hydrogen bonds N–Н⋅⋅⋅O in III) leads to the formation of isolated dimer structures rather than infinite formations.

中文翻译：

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N- [2-（4-氧代-4H-苯并[d] [1，3]-恶嗪-2-基）苯甲酰胺和丙酰胺的晶体结构及其含N的类似物N- [2-（4-氧代- 3,4-二氢喹唑啉-2-基）苯基]丙酰胺

摘要

通过XRD方法分析了两个取代的苯并恶嗪酮（I和II）及其结构类似物喹唑啉酮（III）的分子和晶体结构的特定特征。化合物I以两种结晶修饰形式存在。所有研究的分子都是非平面的；但是，它们的非平面性的特性是不同的。在分子I和II中，分子内氢键N–H⋅⋅⋅N而不是潜在的可能键N–H⋅⋅⋅О是封闭的。分子III也包含类似的氢键。晶体堆积中弱方向性相互作用的发生（I和II中的π–π相互作用和分子间氢键的N-Н⋅⋅⋅O在III）导致分离的二聚体结构，而不是无穷地层的形成。