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Crystal structure of 2-[(di-chloro-methane)sulfon-yl]pyridine.

ABSTRACT: The asymmetric unit of the title compound, C6H5Cl2NO2S, contains two mol-ecules with similar conformations (r.m.s. overlay fit for the non-H atoms = 0.067?Å). Atoms attached to the pendent Csp (3)-S bond are arranged in a staggered conformation with one of the Cl atoms anti to the C atom in the aromatic ring [C-S-C-Cl torsion angles = 178.41?(11) and -176.70?(13)°]. In the crystal, mol-ecules are linked by C-H?N and C-H?O hydrogen bonds, generating a three-dimensional network, and weak aromatic ?-? stacking is also observed [centroid-centroid separation = 3.8902?(17)?Å].

SUBMITTER: Chen Z

PROVIDER: S-EPMC4257385 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of 2-[(di-chloro-methane)sulfon-yl]pyridine.

Chen Zhiqiu Z Bolat Hembat H Wan Xing X Li Ya Y

Acta crystallographica. Section E, Structure reports online 20141121 Pt 12

The asymmetric unit of the title compound, C6H5Cl2NO2S, contains two mol-ecules with similar conformations (r.m.s. overlay fit for the non-H atoms = 0.067 Å). Atoms attached to the pendent Csp (3)-S bond are arranged in a staggered conformation with one of the Cl atoms anti to the C atom in the aromatic ring [C-S-C-Cl torsion angles = 178.41 (11) and -176.70 (13)°]. In the crystal, mol-ecules are linked by C-H⋯N and C-H⋯O hydrogen bonds, generating a three-dimensional network, and weak aromatic ...[more]

PMID: 25553040

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