The disordered molecular structure of (3aRS,7aRS)‐1,3‐dinitrosooctahydro‐1H‐benzimidazole |
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Authors: | Augusto Rivera Diego Quiroga Jaime Ríos‐Motta Karla Fejfarov Michal Duek |
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Abstract: | The title compound, C7H12N4O2, was obtained by nitrosation of the aminal cage (2R,7R,11S,16S)‐1,8,10,17‐tetraazapentacyclo8.8.1.18,17.02,7.011,16]icosane. The crystal structure is a racemic mixture of RR and SS enantiomers. The asymmetric unit contains two crystallographically independent half‐molecules, one having two partially occupied conformers with refined occupancy factors of 0.747 (3) and 0.253 (3). The molecules sit across twofold axes. The unique molecules each form chains parallel to 001], with molecules connected by intermolecular C—H...O hydrogen bonds. The bonding between adjacent chains is weak. The analysis of eight different crystals confirmed the presence of disordered and nondisordered molecules in the same structure as a regular feature. |
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