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An unusual case of OD-allotwinning: 9,9?-(2,5-dibromo-1,4-phenylene)bis[9H-carbazole]

ABSTRACT: The title compound crystallizes as allotwins made up of two OD-polytypes with a maximum degree of order. 9,9?-(2,5-Dibromo-1,4-phenylene)bis[9H-carbazole] (1) crystallizes as a category I order–disorder (OD) structure composed of non-polar layers of one kind with B2/m(1)1 layer symmetry. The crystals are made up of the two polytypes with a maximum degree of order (MDO). The monoclinic MDO1 polytype (B21/d) possesses an orthorhombic B-centered lattice and appears in two orientations, which are related by reflection at (100). The orthorhombic MDO2 polytype (F2dd) has a doubled b-axis and appears in two orientations, which are related by inversion. The crystal structures of both polytypes were determined in a concurrent refinement. The MDO1:MDO2 ratio is 69:31.

SUBMITTER: Kautny P

PROVIDER: S-EPMC5289307 | biostudies-literature | 2017 Jan

REPOSITORIES: biostudies-literature

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