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(RS)-1-(1-Acetylindolin-5-yl)-2-chloropropan-1-one
The molecule 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 fact...
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006937/ https://www.ncbi.nlm.nih.gov/pubmed/21587848 http://dx.doi.org/10.1107/S1600536810020969 |
Sumario: | The molecule 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 interactions [centroid–centroid distance = 3.6959 (9) Å] between symmetry-related phenyl rings stabilize the crystal structure. |
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