Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: a combined X-ray structural and theoretical analysis-Reference-Cited by-同舟云学术

Quantitative analysis of intermolecular interactions in cocrystals and a pair of polymorphous cocrystal hydrates from 1,4-dihydroquinoxaline-2,3-dione and 1H-benzo[d]imidazol-2(3H)-one with 2,5-dihydroxy-1,4-benzoquinones: a combined X-ray structural and theoretical analysis

Published:2020 Issue:40 Volume:22 Page:6645-6660
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Sosa-Rivadeneyra Martha V.¹²³⁴^ORCID,Venkatesan Perumal⁵⁶³⁴^ORCID,Flores-Manuel Fermin¹²³⁴,Bernès Sylvain⁷⁸³⁴^ORCID,Höpfl Herbert⁹¹⁰¹¹¹²⁴^ORCID,Cerón Margarita⁵⁶³⁴,Thamotharan Subbiah¹³¹⁴¹⁵¹⁶¹⁷^ORCID,Percino M. Judith⁵⁶³⁴^ORCID

Affiliation:

1. Facultad de Ciencias Químicas

2. Benemérita Universidad Autónoma de Puebla (BUAP)

3. Puebla

4. Mexico

5. Unidad de Polímeros y Electrónica Orgánica

6. Instituto de Ciencias, Benemérita Universidad Autónoma de Puebla

7. Instituto de Física

8. Benemérita Universidad Autónoma de Puebla (IFBUAP)

9. Centro de Investigaciones Químicas

10. Instituto de Investigación en Ciencias Básicas y Aplicadas

11. Universidad Autónoma del Estado de Morelos

12. Cuernavaca

13. Biomolecular Crystallography Laboratory

14. Department of Bioinformatics

15. School of Chemical and Biotechnology

16. SASTRA Deemed University

17. Thanjavur

Abstract

Study and quantification of intermolecular interactions in five cocrystals and cocrystals hydrates by PIXEL, DFT, Hirshfeld surface and QTAIM calculations.

Funder

Vicerrectoría de Investigación y Estudios de Posgrado, Benemérita Universidad Autónoma de Puebla

Consejo Nacional de Ciencia y Tecnología

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CE/D0CE01056A

Reference106 articles.

1. Polymorphs, Salts, and Cocrystals: What’s in a Name?

2. Solvates, Salts, and Cocrystals: A Proposal for a Feasible Classification System