Crystal structure and Hirshfeld surface analysis of (3aR,4S,7S,7aS)-4,5,6,7,8,8-hexachloro-2-{6[(3aR,4R,7R,7aS)-4,5,6,7,8,8-hexachloro-1,3-dioxo- 1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]hexyl}-3a,4,7,7a-tetrahydro-1H-4,7-methano- isoindole-1,3(2H)-dione

Alikhanova A., Atioglu Z., AKKURT M. , Mlowe S.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.77, pp.775-784, 2021 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 77
  • Publication Date: 2021
  • Doi Number: 10.1107/s2056989021006952
  • Page Numbers: pp.775-784
  • Keywords: crystal structure, pyrrolidine ring, cyclopentane ring, cyclohexane ring, Hirshfeld surface analysis, CATALYTIC-ACTIVITY, CYANOSILYLATION, COMPLEXES, COORDINATION, ALDEHYDES, IRON(III), HYDROGEN


The molecule of the title compound, C24H16Cl12N2O4, is generated by a crystallographic inversion centre at the midpoint of the central C-C bond. A kink in the molecule is defined by a torsion angle of -169.86 (15)degrees about this central bond of the alkyl bridge. The pyrrolidine ring is essentially planar [max. deviation = 0.014 (1) angstrom]. The cyclohexane ring has a boat conformation, while both cyclopentane rings adopt an envelope conformation. In the crystal structure, molecules are linked by intermolecular C-H center dot center dot center dot O, C-H center dot center dot center dot Cl and C-Cl center dot center dot center dot pi interactions, and short intermolecular Cl center dot center dot center dot O and Cl center dot center dot center dot Cl contacts, forming a three-dimensional network.