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(RS)-1-(1-Acetyl-indolin-5-yl)-2-chloro-propan-1-one.

ABSTRACT: The mol-ecule of the title compound, C(13)H(14)ClNO(2), is roughly planar [maximum deviation = 0.060 (2) Å] with the disordered Cl/CH(3) group asymetrically distributed on both sides of the mean plane. Indeed, the Cl and CH(3) located on the stereogenic carbon exchange each other with occupancy factors in the ratio 0.60:0.40. The whole crystal is a racemate. Non-classical C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.6959 (9) Å] between symmetry-related phenyl rings stabilize the crystal structure.

SUBMITTER: Yang XM

PROVIDER: S-EPMC3006937 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

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(RS)-1-(1-Acetyl-indolin-5-yl)-2-chloro-propan-1-one.

Yang Xue-Mei XM

Acta crystallographica. Section E, Structure reports online 20100609 Pt 7

The mol-ecule of the title compound, C(13)H(14)ClNO(2), is roughly planar [maximum deviation = 0.060 (2) Å] with the disordered Cl/CH(3) group asymetrically distributed on both sides of the mean plane. Indeed, the Cl and CH(3) located on the stereogenic carbon exchange each other with occupancy factors in the ratio 0.60:0.40. The whole crystal is a racemate. Non-classical C-H⋯O hydrogen bonds and π-π inter-actions [centroid-centroid distance = 3.6959 (9) Å] between symmetry-related phenyl rings ...[more]

PMID: 21587848

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