Journal article
(5aR, 9aR)-2,4-dimethyl-5a, 6,7,8,9,9a-hexa-hydro-1H-1,5-benzodiazepine
Acta crystallographica. Section C, Crystal structure communications, Vol.54, pp.1030-1033
07/15/1998
DOI: 10.1107/S0108270198001279
Abstract
The title compound, C11H18N2, packs in the solid state with one molecule in the asymmetric unit but with the chiral molecule disordered over two orientations related by twofold rotation. Thus, the molecule is the average of these two orientations with the amine H atom present with half occupancy at each N atom and `pseudo-aromatic' character in the N—C—C—C—N moiety of the diazepine ring. The molecules are linked to form infinite chains parallel to the c axis via N—H...N hydrogen bonds across crystallographic twofold axes, with N...N 3.224 (3) and 3.110 (3) Å (the hydrogen-bonded H atom is disordered).
Details
- Title: Subtitle
- (5aR, 9aR)-2,4-dimethyl-5a, 6,7,8,9,9a-hexa-hydro-1H-1,5-benzodiazepine
- Creators
- Richard F Jordan - Department of Chemistry, University of Iowa, Iowa City, IA 52242, United StatesDavid G Black - Department of Chemistry, University of Iowa, Iowa City, IA 52242, United StatesDale C Swenson - University of Iowa
- Resource Type
- Journal article
- Publication Details
- Acta crystallographica. Section C, Crystal structure communications, Vol.54, pp.1030-1033
- Publisher
- Blackwell
- DOI
- 10.1107/S0108270198001279
- ISSN
- 0108-2701
- eISSN
- 1600-5759
- Language
- English
- Date published
- 07/15/1998
- Academic Unit
- Chemistry
- Record Identifier
- 9984622748702771
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