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(2E,2'E)-1,1'-Bis(6-chloro-2-methyl-4-phenyl-quinolin-3-yl)-3,3'-(1,4-phenyl-ene)diprop-2-en-1-one ethyl acetate disolvate.

ABSTRACT: In the title solvate, C44H30Cl2N2O2·2C4H8O2, the complete polycyclic mol-ecule is generated by inversion symmetry. The dihedral angle between the quinolyl ring system (Q; r.m.s. deviation = 0.020?Å) and the pendant phenyl ring is 78.80?(6)°; the dihedral angle between Q and the central benzene ring is 85.92?(7)°. In the crystal, the components are linked by C-H?O and C-H?? inter-actions, generating (110) layers. Weak aromatic ?-? stacking [centroid-centroid distances = 3.7025?(11) and 3.8124?(10)?Å] is also observed.

SUBMITTER: Kedjadja A

PROVIDER: S-EPMC3588301 | biostudies-other | 2013 Jan

REPOSITORIES: biostudies-other

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(2E,2'E)-1,1'-Bis(6-chloro-2-methyl-4-phenyl-quinolin-3-yl)-3,3'-(1,4-phenyl-ene)diprop-2-en-1-one ethyl acetate disolvate.

Kedjadja Allaoua A Merdes Rachid R Bouacida Sofiane S Roisnel Thierry T Belfaitah Ali A

Acta crystallographica. Section E, Structure reports online 20121208 Pt 1

In the title solvate, C44H30Cl2N2O2·2C4H8O2, the complete polycyclic mol-ecule is generated by inversion symmetry. The dihedral angle between the quinolyl ring system (Q; r.m.s. deviation = 0.020 Å) and the pendant phenyl ring is 78.80 (6)°; the dihedral angle between Q and the central benzene ring is 85.92 (7)°. In the crystal, the components are linked by C-H⋯O and C-H⋯π inter-actions, generating (110) layers. Weak aromatic π-π stacking [centroid-centroid distances = 3.7025 (11) and 3.8124 (10 ...[more]

PMID: 23476424

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