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Crystal structure of 4,5,6,7,8,8-hexachloro-2-(3,4-dimethoxyphenethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione [+solvent]
In the title compound, C(19)H(15)Cl(6)NO(4) [+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-dimethoxyphenyl ring, which are at...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6505607/ https://www.ncbi.nlm.nih.gov/pubmed/31110786 http://dx.doi.org/10.1107/S2056989019004109 |
Sumario: | In the title compound, C(19)H(15)Cl(6)NO(4) [+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-dimethoxyphenyl ring, which are attached to each other by an extended N—CH(2)—CH(2)—C(ar) bridge. In the crystal, the structure features C—H⋯O intermolecular hydrogen bonds, an offset π–π interaction [intercentroid distance = 3.564 (1) Å] and a C—Cl⋯π interaction. 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 molecular weight and density. |
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