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Methyl 2-[(methyl-sulfon-yl)(prop-yl)amino]benzoate.

ABSTRACT: The asymmetric unit of the title compound, C(12)H(17)NO(4)S, contains two mol-ecules, both of which show disorder of the two terminal C atoms of the propyl chain over two sets of sites with an occupancy ratio of 0.581?(6):0.419?(6). Intra-molecular C-H?O inter-actions help to establish the mol-ecular conformations: in one mol-ecule, the dihedral angle between the methyl ester group and the benzene ring is 41.0?(2)°, whereas in the other mol-ecule it is 36.12?(17)°. In the crystal, mol-ecules are linked by inter-molecular C-H?O and C-H?? inter-actions.

SUBMITTER: Shafiq M 

PROVIDER: S-EPMC2980136 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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Methyl 2-[(methyl-sulfon-yl)(prop-yl)amino]benzoate.

Shafiq Muhammad M   Tahir M Nawaz MN   Khan Islam Ullah IU   Arshad Muhammad Nadeem MN   Haider Zeeshan Z  

Acta crystallographica. Section E, Structure reports online 20091224 Pt 1

The asymmetric unit of the title compound, C(12)H(17)NO(4)S, contains two mol-ecules, both of which show disorder of the two terminal C atoms of the propyl chain over two sets of sites with an occupancy ratio of 0.581 (6):0.419 (6). Intra-molecular C-H⋯O inter-actions help to establish the mol-ecular conformations: in one mol-ecule, the dihedral angle between the methyl ester group and the benzene ring is 41.0 (2)°, whereas in the other mol-ecule it is 36.12 (17)°. In the crystal, mol-ecules are  ...[more]

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