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(2SR,3RS)-Methyl 2-(adamantan-1-yl)-3-phenyl-sulfonyl-3-(pyridin-2-ylsulfan-yl)propano-ate dichloro-methane hemisolvate.

ABSTRACT: The title compound, C(25)H(29)NO(4)S(2) 0.5CH(2)Cl(2), was obtained as a racemate. The pyridine and phenyl rings are arranged face-to-face, giving a weak intra-molecular ?-? inter-action [centroid-centroid separation = 3.759?(3)?Å]. These inter-actions are extended inter-molecularly, forming chains of stacked rings along [001] with separations of 3.859?(3) and 3.916?(3)?Å. The solvent used for crystallization, CH(2)Cl(2), is located in voids between the chains of mol-ecules, with a site occupancy of 0.5.

SUBMITTER: Meza-Leon RL

PROVIDER: S-EPMC3099796 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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(2SR,3RS)-Methyl 2-(adamantan-1-yl)-3-phenyl-sulfonyl-3-(pyridin-2-ylsulfan-yl)propano-ate dichloro-methane hemisolvate.

Meza-León Rosa-Luisa RL Bernès Sylvain S Ramírez Domínguez Elsie E Sosa-Rivadeneyra Martha M Quintero-Cortés Leticia L

Acta crystallographica. Section E, Structure reports online 20110326 Pt 4

The title compound, C(25)H(29)NO(4)S(2) 0.5CH(2)Cl(2), was obtained as a racemate. The pyridine and phenyl rings are arranged face-to-face, giving a weak intra-molecular π-π inter-action [centroid-centroid separation = 3.759 (3) Å]. These inter-actions are extended inter-molecularly, forming chains of stacked rings along [001] with separations of 3.859 (3) and 3.916 (3) Å. The solvent used for crystallization, CH(2)Cl(2), is located in voids between the chains of mol-ecules, with a site occupanc ...[more]

PMID: 21754240

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