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2,6-Bis(2-chloro-phen-yl)-4-oxo-3,5-diphenyl-heptane-1,1,7,7-tetra-carbo-nitrile.

ABSTRACT: In the title compound, C(35)H(24)Cl(2)N(4)O, the phenyl rings are oriented almost parallel to each other, making a dihedral angle of 0.6?(2)°, whereas the chloro-phenyl rings are oriented at a dihedral angle of 28.3?(1)°. The crystal structure is stabilized through an extensive series of C-H?N, C-H?O and C-H?Cl inter-actions. One of the C-H?N inter-actions generates an R(2) (2)(12) ring motif around a crystallographic inversion centre. C(5), C(10) and C(12) chain motifs are observed in the unit cell through C-H?N and C-H?Cl inter-actions. During the structure analysis, it was observed that the unit cell contains large accessible voids, which host disordered solvent mol-ecules. This affects the diffraction pattern, mostly at low scattering angles and was corrected with the SQUEEZE program [Spek, A. L. (2009 ?). Acta Cryst. D65, 148-155].

SUBMITTER: Ali AJ

PROVIDER: S-EPMC3120456 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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2,6-Bis(2-chloro-phen-yl)-4-oxo-3,5-diphenyl-heptane-1,1,7,7-tetra-carbo-nitrile.

Ali A Jahubar AJ Athimoolam S S Bahadur S Asath SA Raja V P Alex VP

Acta crystallographica. Section E, Structure reports online 20110514 Pt 6

In the title compound, C(35)H(24)Cl(2)N(4)O, the phenyl rings are oriented almost parallel to each other, making a dihedral angle of 0.6 (2)°, whereas the chloro-phenyl rings are oriented at a dihedral angle of 28.3 (1)°. The crystal structure is stabilized through an extensive series of C-H⋯N, C-H⋯O and C-H⋯Cl inter-actions. One of the C-H⋯N inter-actions generates an R(2) (2)(12) ring motif around a crystallographic inversion centre. C(5), C(10) and C(12) chain motifs are observed in the unit ...[more]

PMID: 21754791

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