A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)-Reference-Cited by-同舟云学术

A variable-temperature X-ray diffraction and theoretical study of conformational polymorphism in a complex organic molecule (DTC)

Published:2018 Issue:67 Volume:8 Page:38445-38454
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Gionda Andrea¹²³,Macetti Giovanni¹²³⁴⁵,Loconte Laura¹²³,Rizzato Silvia¹²³^ORCID,Orlando Ahmed M.¹²³,Gatti Carlo⁴⁵⁶⁷⁸^ORCID,Lo Presti Leonardo¹²³⁴⁵^ORCID

Affiliation:

1. Università degli Studi di Milano

2. Department of Chemistry

3. Italy

4. Centre for Materials Crystallography

5. Århus University

6. Denmark

7. Istituto di Scienze e Tecnologie Molecolari

8. Italian CNR

Abstract

A small conformational change in the asymmetric unit has a significant effect on how non-covalent interactions determine (i) the crystal packing and (ii) the effect of T on the relative balance of electrostatics and dispersion–repulsions.

Funder

Danmarks Grundforskningsfond

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/RA/C8RA08063A

Reference68 articles.

1. Substrate‐Induced and Thin‐Film Phases: Polymorphism of Organic Materials on Surfaces

2. Design of Organic Solids , in Top. Curr. Chem. , ed. E. Weber , Springer-Verlag: Berlin-Heidelberg , 1998 , vol. 198

3. Conformational Polymorphism