Abstract
The title compound, C21H26N2O3, crystallizes with two independent molecules in the asymmetric unit. In both independent molecules, the diazepine ring adopts a chair conformation. In the crystal, the independent molecules exist as N—H⋯O hydrogen-bonded R 2 2(8) dimers which are linked via N—H⋯O hydrogen bonds, forming tetramers. The tetramers are linked by C—H⋯O hydrogen bonds. In one of the molecules in the asymmetric unit, the terminal C atom of the ethyl group is disordered over two positions with refined occupancies of 0.742 (4) and 0.258 (4).
Highlights
The title compound, C21H26N2O3, crystallizes with two independent molecules in the asymmetric unit
The independent molecules exist as N—H O hydrogen-bonded R22(8) dimers which are linked via N—H O hydrogen bonds, forming tetramers
The tetramers are linked by C—H O hydrogen bonds
Summary
Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.003 Å; disorder in main residue; R factor = 0.050; wR factor = 0.149; data-to-parameter ratio = 20.9. The title compound, C21H26N2O3, crystallizes with two independent molecules in the asymmetric unit. In both independent molecules, the diazepine ring adopts a chair conformation. The independent molecules exist as N—H O hydrogen-bonded R22(8) dimers which are linked via N—H O hydrogen bonds, forming tetramers. The tetramers are linked by C—H O hydrogen bonds. In one of the molecules in the asymmetric unit, the terminal C atom of the ethyl group is disordered over two positions with refined occupancies of 0.742 (4) and 0.258 (4)
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