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(S)-2-Amino-2-(2-chloro-phen-yl)cyclo-hexa-none.

ABSTRACT: The crystal structure of the title compound, C(12)H(14)ClNO, was determined in order to confirm that the chiral center of the mol-ecule has an S configuration. The cyclo-hexa-none ring adopts a chair conformation. The 2-chloro-phenyl ring is slightly twisted from the axial C-N bond, with a N-C-C-C torsion angle of -5.7?(2)°. In the crystal, an inter-molecular N-H?O hydrogen bond links adjacent mol-ecules into an infinite chain, which propagates in the b-axis direction.

SUBMITTER: Biermann M

PROVIDER: S-EPMC3100030 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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(S)-2-Amino-2-(2-chloro-phen-yl)cyclo-hexa-none.

Biermann Manfred M Hardcastle Kenneth I KI Moskalev Nikolai V NV Crooks Peter A PA

Acta crystallographica. Section E, Structure reports online 20110319 Pt 4

The crystal structure of the title compound, C(12)H(14)ClNO, was determined in order to confirm that the chiral center of the mol-ecule has an S configuration. The cyclo-hexa-none ring adopts a chair conformation. The 2-chloro-phenyl ring is slightly twisted from the axial C-N bond, with a N-C-C-C torsion angle of -5.7 (2)°. In the crystal, an inter-molecular N-H⋯O hydrogen bond links adjacent mol-ecules into an infinite chain, which propagates in the b-axis direction. ...[more]

PMID: 21754205

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