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Une étude cristallographique : superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl

Title data

Rekis, Toms ; Ramakrishnan, Sitaram ; Kotla, Surya Rohith ; Bao, Jin-Ke ; Eisele, Claudio ; Schönleber, Andreas ; Noohinejad, Leila ; Paulmann, Carsten ; Tolkiehn, Martin ; van Smaalen, Sander:
Une étude cristallographique : superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl.
In: CrystEngComm. Vol. 24 (2022) Issue 3 . - pp. 512-517.
ISSN 1466-8033
DOI: https://doi.org/10.1039/D1CE01223A

Abstract in another language

We report the structure of a 3 : 1 cocrystal of 4,4′-dinitrobiphenyl and biphenyl. The cocrystal can be regarded as a commensurate column composite crystal and therefore is described in superspace. The structure is monoclinic at 100 K (superspace group C2(σ10σ3)0), but undergoes a single-crystal-to-single-crystal phase transition upon cooling, which results in a triclinic distortion at 20 K (C1(σ1σ2σ3)0). Unlike similar symmetry-lowering phase transitions, this transition is not found to induce twinning. Other structurally similar cocrystals with 4,4′-dinitrobiphenyl and small organic molecules have been reported in the literature demonstrating that 4,4′-dinitrobiphenyl is prone to form composite crystals.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography
Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography > Chair Crystallography - Univ.-Prof. Dr. Sander van Smaalen
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 06 Apr 2022 08:10
Last Modified: 06 Apr 2022 08:10
URI: https://eref.uni-bayreuth.de/id/eprint/69103