Interplay between the crystal stability and the energy of the molecular conformation-Reference-Cited by-同舟云学术

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Interplay between the crystal stability and the energy of the molecular conformation

Published:2021 Issue:14 Volume:23 Page:2683-2694
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Dyk Konrad¹²³⁴⁵^ORCID,Baran Łukasz⁶²³⁴⁵^ORCID,Rżysko Wojciech⁶²³⁴⁵,Stankevič Marek⁷²³⁴⁵^ORCID,Kamiński Daniel M.¹²³⁴⁵^ORCID

Affiliation:

1. Department of General, and Coordination Chemistry and Crystallography

2. Institute of Chemical Sciences

3. Faculty of Chemistry

4. Maria Curie-Skłodowska University

5. Lublin

6. Department of Theoretical Chemistry

7. Department of Organic Chemistry

Abstract

The lattice energy is the main factor in determining the structure even if the molecules adopt a less energetically favorable conformation.

Funder

Infrastruktura PL-Grid

Wroclawskie Centrum Sieciowo-Superkomputerowe, Politechnika Wroclawska

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CE/D0CE01673J

Reference30 articles.

1. Conformational polymorphism. The influence of crystal structure on molecular conformation

2. J. W. Mulin , Crystallization , Butterworth-Heinemann , 4th edn, 2001

3. A practical guide to pharmaceutical polymorph screening & selection

4. Polymorph Selection by Continuous Crystallization in the Presence of Wet Milling

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1. Synthesis, Crystal Structure, and DFT Study of (5-Bromo-2-fluorophenyl)-2-pyrazinylmethanone;Russian Journal of General Chemistry;2023-01

2. Solvent induced conformational polymorphism;CrystEngComm;2023

3. Control of Molecular Conformation and Crystal Packing of Biphenyl Derivatives;ChemPlusChem;2022-01

4. Influence of the substitution position in the tetratopic building blocks on the self-assembly process;Journal of Molecular Liquids;2022-01

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