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Conformational dimorphism of 2,2'-methyl-enebis(isoindoline-1,3-dione).

ABSTRACT: In this study, a new monoclinic polymorph (space group C2/c) of 2,2'-methyl-enebis(isoindoline-1,3-dione), C17H10N2O4, is reported and compared to the previously reported triclinic polymorph (space group P ). Similarly, both polymorphs consist of a unique mol-ecule in the asymmetric unit (Z' = 1). The mol-ecular conformations of the two polymorphs are very similar, as shown by the r.m.s. deviation of 0.368 Å (excluding all H atoms). The inter-molecular inter-actions of both polymorphs are described along with the Hirshfeld surface analysis, and the lattice energies are calculated.

SUBMITTER: Chia TS 

PROVIDER: S-EPMC6323873 | biostudies-literature | 2019 Jan

REPOSITORIES: biostudies-literature

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Conformational dimorphism of 2,2'-methyl-enebis(isoindoline-1,3-dione).

Chia Tze Shyang TS   Kwong Huey Chong HC   Sim Ai Jia AJ   Ng Weng Zhun WZ   Wong Qin Ai QA   Chidan Kumar C S CS   Quah Ching Kheng CK   Arafath Md Azharul MA   Arafath Md Azharul MA  

Acta crystallographica. Section E, Crystallographic communications 20190101 Pt 1

In this study, a new monoclinic polymorph (space group <i>C</i>2/<i>c</i>) of 2,2'-methyl-enebis(isoindoline-1,3-dione), C<sub>17</sub>H<sub>10</sub>N<sub>2</sub>O<sub>4</sub>, is reported and compared to the previously reported triclinic polymorph (space group <i>P</i> ). Similarly, both polymorphs consist of a unique mol-ecule in the asymmetric unit (<i>Z</i>' = 1). The mol-ecular conformations of the two polymorphs are very similar, as shown by the r.m.s. deviation of 0.368 Å (excluding all H  ...[more]

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