We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Crystal Structure, Hirshfeld Surface Analysis and Computational Studies of Two Benzo[b][1,4]Diazepine Derivatives.
- Authors
Odame, F.; Madanhire, T.; Hosten, E. C.; Lobb, K.
- Abstract
The DFT computational studies, crystal structures and Hirshfeld surface analysis of (E)-4-(2-chlorostyryl)-2,2-dimethyl-2,3-dihydro-1H-benzo[b][1,4]diazepine (1) and (E)-4-(2-(2,2-dimethyl-2,3-dihydro-1H-benzo[b][1,4]diazepin-4-yl)vinyl)phenol (2) have been presented. The compounds crystallized in the monoclinic space group P21/c with 4 molecules in their unit cells each. The experimental and computed bond lengths and bond angles deviated from each other to some extent but also showed good agreement with each other in some cases. Hirshfeld surface analysis of the compounds provided further information about the structural properties of the compounds.
- Subjects
SURFACE analysis; CRYSTAL structure; UNIT cell; BOND angles; CHEMICAL bond lengths
- Publication
Journal of Structural Chemistry, 2023, Vol 64, Issue 12, p2326
- ISSN
0022-4766
- Publication type
Article
- DOI
10.1134/S0022476623120041