Crystal structure and Hirshfeld surface analysis of 1-(tert-butylamino)-3-mesitylpropan-2-ol hemihydrate
Acta Crystallographica Section E: Crystallographic Communications, vol.78, pp.525-529, 2022 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 78
- Publication Date: 2022
- Doi Number: 10.1107/s2056989022004297
- Journal Name: Acta Crystallographica Section E: Crystallographic Communications
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.525-529
- Keywords: crystal structure, 1,2-amino alcohols, hydrogen bonds, C-H center dot center dot center dot pi interactions, Hirshfeld surface analysis
- Open Archive Collection: AVESIS Open Access Collection
- Kayseri University Affiliated: No
Abstract
© 2022 International Union of Crystallography. All rights reserved.The title compound, 2C16H27NO·H2O, crystallizes in the monoclinic P21/c space group with two independent molecules (A and B) in the asymmetric unit. In the crystal, molecules A and B are linked through the water molecules by intermolecular O - H⋯O and O - H⋯N hydrogen bonds, producing chains along the b-axis direction. These chains are linked with neighboring chains parallel to the (103) plane via C - H⋯π interactions, generating ribbons along the b-axis direction. The stability of the molecular packaging is ensured by van der Waals interactions between the ribbons. According to the Hirshfeld surface study, H⋯H interactions are the most significant contributors to the crystal packing (80.3% for molecule A and 84.8% for molecule B).