Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring-Reference-Cited by-同舟云学术

Polymorphism in secondary squaramides: on the importance of π-interactions involving the four membered ring

Published:2018 Issue:2 Volume:20 Page:237-244
ISSN:1466-8033
Container-title:CrystEngComm
language:en
Short-container-title:CrystEngComm

Author:

Prohens Rafel¹²³⁴⁵^ORCID,Portell Anna¹²³⁴⁵,Vallcorba Oriol⁶⁷⁸⁵^ORCID,Font-Bardia Mercè⁹²³⁵,Bauzá Antonio¹⁰¹¹¹²⁵^ORCID,Frontera Antonio¹⁰¹¹¹²⁵^ORCID

Affiliation:

1. Unitat de Polimorfisme i Calorimetria

2. Centres Científics i Tecnològics

3. Universitat de Barcelona

4. 08028 Barcelona

5. Spain

6. ALBA Synchrotron Light Source

7. Cerdanyola del Vallès

8. Barcelona 08920

9. Unitat de Difracció de Raigs X

10. Departament de Química

11. Universitat de les Illes Balears

12. 07122 Palma (Baleares)

Abstract

We report the crystal structures of four new squaric acid derivatives, i.e. three polymorphs of 3,4-bis((2-(dimethylamino)ethyl)amino)cyclobut-3-ene-1,2-dione (1a–c) and a cocrystal with resorcinol. A DFT study has been also carried out to investigate the supramolecular assemblies.

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CE/C7CE01945A

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