Crystal Structure, Hirshfeld Surface Analysis and Computational Studies of Two Benzo [b][1, 4] Diazepine Derivatives

Odame, Felix; Madanhire, T; Hosten, Eric C; Lobb, Kevin A

Title: Crystal Structure, Hirshfeld Surface Analysis and Computational Studies of Two Benzo [b][1, 4] Diazepine Derivatives
Creator: Odame, Felix
Creator: Madanhire, T
Creator: Hosten, Eric C
Creator: Lobb, Kevin A
Subject: To be catalogued
Date Issued: 2023
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
Format: online resource
Format: application/pdf
Format: 1 online resource (16 pages)
Format: pdf
Publisher: Springer
Language: English
Relation: Journal of Structural Chemistry
Relation: 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
Relation: 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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RU Department of Chemistry

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