Journal Article

PUBDB-2022-00526

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl

Rekis, T. (Corresponding author)Extern* ; Ramakrishnan, S. ; Kotla, S. R.Extern* ; Bao, J.-K.Extern* ; Eisele, C.Extern* ; Schönleber, A.Extern* ; Noohinejad, L.DESY* ; Paulmann, C.Extern* ; Tolkiehn, M.DESY* ; van Smaalen, S. (Corresponding author)Extern*

2022
RSC London

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Please use a persistent id in citations: 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(σ$_1$σ$_2$σ$_3$)0), but undergoes a single-crystal-to-single-crystal phase transition upon cooling, which results in a triclinic distortion at 20 K (C1(σ$_1$σ$_2$σ$_3$)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.

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Contributing Institute(s):

1. PETRA-D (FS-PETRA-D)

Research Program(s):

1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)

Experiment(s):

1. PETRA Beamline P24 (PETRA III)

Appears in the scientific report 2022

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Database coverage:
; Allianz-Lizenz / DFG ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; Essential Science Indicators ; IF < 5 ; JCR ; National-Konsortium ; Nationallizenz ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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