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

CrystEngComm Pub Date: 2021-11-26 DOI: 10.1039/D1CE01223A

Abstract

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.

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