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Probing transferability of intermolecular interactions by their features: a nitro group case study

Ivan Vyacheslavovich Ananyev 1
Ivan Vyacheslavovich Ananyev
, 
10.1016/j.mencom.2024.06.023
Published 2024-06-19
Communication , Volume 34, Issue 4, 540-542
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Ananyev I. V., Fershtat L. L. Probing transferability of intermolecular interactions by their features: a nitro group case study // Mendeleev Communications. 2024. Vol. 34. No. 4. pp. 540-542.
GOST all authors (up to 50) Copy
Ananyev I. V., Fershtat L. L. Probing transferability of intermolecular interactions by their features: a nitro group case study // Mendeleev Communications. 2024. Vol. 34. No. 4. pp. 540-542.
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TY - JOUR
DO - 10.1016/j.mencom.2024.06.023
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2024.06.023
TI - Probing transferability of intermolecular interactions by their features: a nitro group case study
T2 - Mendeleev Communications
AU - Ananyev, Ivan Vyacheslavovich
AU - Fershtat, Leonid Leonidovich
PY - 2024
DA - 2024/06/19
PB - Mendeleev Communications
SP - 540-542
IS - 4
VL - 34
ER -
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@article{2024_Ananyev,
author = {Ivan Vyacheslavovich Ananyev and Leonid Leonidovich Fershtat},
title = {Probing transferability of intermolecular interactions by their features: a nitro group case study},
journal = {Mendeleev Communications},
year = {2024},
volume = {34},
publisher = {Mendeleev Communications},
month = {Jun},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2024.06.023},
number = {4},
pages = {540--542},
doi = {10.1016/j.mencom.2024.06.023}
}
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Ananyev, Ivan Vyacheslavovich, and Leonid Leonidovich Fershtat. “Probing transferability of intermolecular interactions by their features: a nitro group case study.” Mendeleev Communications, vol. 34, no. 4, Jun. 2024, pp. 540-542. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2024.06.023.

Keywords

electron density
intermolecular interactions
promolecule
structural database
topological analysis
transferability.

Abstract

Based on the processing of supramolecular environments of nitro group from Cambridge Structural Database by means of the ‘Atoms in Molecules’ analysis of promolecular electron density function, it is demonstrated that the topological stability of intermolecular bonding within one associate reflects trends in prevalence of interactions with particular geometry in real crystals.

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