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Crystal structure, Hirshfeld surface analysis and computational studies of (E)-2,2-dimethyl-4-styryl-2,3-dihydro-1H-benzo[b][1,4]diazepine


 
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1. Title Title of document Crystal structure, Hirshfeld surface analysis and computational studies of (E)-2,2-dimethyl-4-styryl-2,3-dihydro-1H-benzo[b][1,4]diazepine
 
2. Creator Author's name, affiliation, country F. Odame; University of Health and Allied Sciences; Ghana
 
2. Creator Author's name, affiliation, country T. Madanhire; Nelson Mandela University; South Africa
 
2. Creator Author's name, affiliation, country E. Hosten; Nelson Mandela University
 
2. Creator Author's name, affiliation, country K. Lobb; Rhodes University; South Africa
 
3. Subject Discipline(s)
 
3. Subject Keyword(s) Benzodiazepine; Hirshfeld surface analysis; monoclinic; computational studies
 
4. Description Abstract

The crystal structure, Hirshfeld surface analysis, and computational studies of (E)-2,2-dimethyl-4-styryl-2,3-dihydro-1H-benzo[b][1,4]diazepine have been presented. The compound crystallized in the monoclinic space group P21/c with 8 molecules in it unit cell. A comparison of the experimental and computed bond lengths and bond angles showed good agreement among the results with varying deviations from each other. A discussion of the Hirshfeld surface analysis of the compound have been carried out to provide insight into the structural properties of the compound.
 
5. Publisher Organizing agency, location
 
6. Contributor Sponsor(s)
 
7. Date (YYYY-MM-DD) 05-07-2023
 
8. Type Status & genre Peer-reviewed Article
 
8. Type Type
 
9. Format File format PDF
 
10. Identifier Uniform Resource Identifier https://revues.imist.ma/index.php/morjchem/article/view/40773
 
10. Identifier Digital Object Identifier (DOI) https://doi.org/10.48317/IMIST.PRSM/morjchem-v11i3.40773
 
11. Source Title; vol., no. (year) Moroccan Journal of Chemistry; Vol 11, No 3 (2023): pp. 579-896
 
12. Language English=en en
 
13. Relation Supp. Files Untitled (2MB)
CIF file (1MB)
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cover letter (38KB)
 
14. Coverage Geo-spatial location, chronological period, research sample (gender, age, etc.)
 
15. Rights Copyright and permissions Copyright (c) 2023 Moroccan Journal of Chemistry