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Crystal structure of 4,5,6,7,8,8-hexa-chloro-2-(3,4-di-meth-oxy-pheneth-yl)-3a,4,7,7a-tetra-hydro-1H-4,7-methano-iso-indole-1,3(2H)-dione [+solvent].

ABSTRACT: In the title compound, C19H15Cl6NO4 [+solvent], the six-membered ring of the norbornene moiety adopts a boat conformation and the two five-membered rings have envelope conformations. The pyrrolidine ring makes a dihedral angle of 14.83?(12)° with the 3,4-di-meth-oxy-phenyl ring, which are attached to each other by an extended N-CH2-CH2-Car bridge. In the crystal, the structure features C-H?O inter-molecular hydrogen bonds, an offset ?-? inter-action [inter-centroid distance = 3.564?(1)?Å] and a C-Cl?? inter-action. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015 ?). Acta Cryst. C71, 9-18] of PLATON. The solvent contribution was not included in the reported mol-ecular weight and density.

SUBMITTER: Manohar R

PROVIDER: S-EPMC6505607 | biostudies-literature | 2019 May

REPOSITORIES: biostudies-literature

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Crystal structure of 4,5,6,7,8,8-hexa-chloro-2-(3,4-di-meth-oxy-pheneth-yl)-3a,4,7,7a-tetra-hydro-1H-4,7-methano-iso-indole-1,3(2H)-dione [+solvent].

Manohar R R Harikrishna M M Etti S Harikrishna SH Ramanathan C C Gunasekaran K K

Acta crystallographica. Section E, Crystallographic communications 20190402 Pt 5

In the title compound, C19H15Cl6NO4 [+solvent], the six-membered ring of the norbornene moiety adopts a boat conformation and the two five-membered rings have envelope conformations. The pyrrolidine ring makes a dihedral angle of 14.83 (12)° with the 3,4-di-meth-oxy-phenyl ring, which are attached to each other by an extended N-CH2-CH2-Car bridge. In the crystal, the structure features C-H⋯O inter-molecular hydrogen bon ...[more]

PMID: 31110786

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