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Crystal structure and Hirshfeld surface analysis of a new polymorph of (E)-2-(4-bromo-phen-yl)-1-[2,2-di-bromo-1-(3-nitro-phen-yl)ethen-yl]diazene.

ABSTRACT: A new polymorph of the title compound, C14H8Br3N3O2, (form-2) was obtained in the same manner as the previously reported form-1 [Akkurt et al. (2022 ▸). Acta Cryst. E78, 732-736]. The structure of the new polymorph is stabilized by a C-H⋯O hydrogen bond that links mol-ecules into chains. These chains are linked by face-to-face π-π stacking inter-actions, resulting in a layered structure. Short inter-mol-ecular Br⋯O contacts and van der Waals inter-actions between the layers aid in the cohesion of the crystal packing. In the previously reported form-1, C-H⋯Br inter-actions connect mol-ecules into zigzag chains, which are linked by C-Br⋯π inter-actions into layers, whereas the van der Waals inter-actions between the layers stabilize the crystal packing of form-2. Hirshfeld mol-ecular surface analysis was used to compare the inter-molecular inter-actions of the polymorphs.

SUBMITTER: Atioglu Z 

PROVIDER: S-EPMC9361372 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of a new polymorph of (<i>E</i>)-2-(4-bromo-phen-yl)-1-[2,2-di-bromo-1-(3-nitro-phen-yl)ethen-yl]diazene.

Atioğlu Zeliha Z   Akkurt Mehmet M   Shikhaliyev Namiq Q NQ   Mammadova Naila A NA   Babayeva Gülnara V GV   Khrustalev Victor N VN   Bhattarai Ajaya A  

Acta crystallographica. Section E, Crystallographic communications 20220714 Pt 8

A new polymorph of the title compound, C<sub>14</sub>H<sub>8</sub>Br<sub>3</sub>N<sub>3</sub>O<sub>2</sub>, (form-2) was obtained in the same manner as the previously reported form-1 [Akkurt <i>et al.</i> (2022 ▸). <i>Acta Cryst.</i> E<b>78</b>, 732-736]. The structure of the new polymorph is stabilized by a C-H⋯O hydrogen bond that links mol-ecules into chains. These chains are linked by face-to-face π-π stacking inter-actions, resulting in a layered structure. Short inter-mol-ecular Br⋯O conta  ...[more]

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