- Title
- Crystal Structure, Hirshfeld Surface Analysis and Computational Studies of Two Benzo [b][1, 4] Diazepine Derivatives
- Creator
- Odame, Felix, Madanhire, T, Hosten, Eric C, Lobb, Kevin A
- Subject
- To be catalogued
- Date
- 2023
- Type
- text
- Type
- article
- Identifier
- http://hdl.handle.net/10962/452689
- Identifier
- vital:75162
- Identifier
- xlink:href="https://doi.org/10.1134/S0022476623120041"
- Description
- 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.
- Format
- computer, online resource, application/pdf, 1 online resource (16 pages), pdf
- Publisher
- Springer
- Language
- English
- Relation
- Journal of Structural Chemistry, Odame, F., Madanhire, T., Hosten, E.C. and Lobb, K., 2023. Crystal Structure, Hirshfeld Surface Analysis and Computational Studies of Two Benzo [b][1, 4] Diazepine Derivatives. Journal of Structural Chemistry, 64(12), pp.2326-2342, Journal of Structural Chemistry volume 64 number 12 p. 2326 2023 1573-8779
- Rights
- Publisher
- Rights
- Use of this resource is governed by the terms and conditions of the SpringerLink Terms of Use Statement ( https://link.springer.com/termsandconditions)
- Rights
- Closed Access
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Collections
Lobb, Kevin Allan (Assoc Prof)
RU Department of Chemistry
SDG 03. Good Health and Well-Being
| Thumbnail | File | Description | Size | Format | |||
|---|---|---|---|---|---|---|---|
| View Details | SOURCE1 | Crystal Structure, Hirshfeld Surface Analysis and Computational Studies of Two Benzo [b][1, 4] Diazepine Derivatives.pdf | 681 KB | Adobe Acrobat PDF | View Details |