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Crystal structure of N,N-dimethyl-2-[(4-methyl-benz-yl)sulfon-yl]ethanamine.

ABSTRACT: In the crystal, the title compound, C12H19NO2S, has a disordered structure with two equally populated conformations of the amine fragment. A pair of weak C-H⋯O inter-molecular inter-actions between the CH2 and SO2 groups gives a one-dimensional supra-molecular structure that propagates through translation along the a-axis direction.

SUBMITTER: Kennedy AR

PROVIDER: S-EPMC4518984 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of 5-[bis-(methyl-sulfon-yl)meth-yl]-1,3-dimethyl-5-(methyl-sulfon-yl)pyrimidine-2,4,6(1H,3H,5H)-trione.

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Crystal structure of 5-chloro-2,7-dimethyl-3-[(4-methyl-phenyl)-sulfon-yl]-1-benzo-furan.

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Crystal structure of 4-methyl-N-(4-methyl-benz-yl)benzene-sulfonamide.

Project description:The title compound, C15H17NO2S, was synthesized via a substitution reaction between 4-methyl-benzyl-amine and p-toluene-sulfonyl chloride. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules, forming ribbons running along the b-axis direction. One of the aromatic rings hosts two inter-molecular C-H⋯π inter-actions that link these hydrogen-bonded ribbons into a three-dimensional network.

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Crystal structure of 2,5-dimethyl-3-(2-methyl-phenyl-sulfon-yl)-1-benzo-furan.

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Project description:In the title compound, C16H13Cl2N3O3S2, the thio-phene ring is disordered in a 0.762?(3):0.238?(3) ratio by an approximate 180° rotation of the ring around the S-C bond linking the ring to the sulfonyl unit. The di-chloro-benzene group is also disordered over two sets of sites with the same occupancy ratio. The mol-ecular conformation is stabilized by intra-molecular C-H?Cl and C-H?N hydrogen bonds, forming rings with graph-set notation S(5). In the crystal, pairs of mol-ecules are linked by N-H?O and C-H?O hydrogen bonds, forming inversion dimers with graph-set notation R22(8) and R12(11), which are connected by C-H?O hydrogen-bonding inter-actions into ribbons parallel to (100). The ribbons are further connected into a three-dimensional network by C-H?? inter-actions and ?-? stacking inter-actions between benzene and thio-phene rings, with centroid-to-centroid distances of 3.865?(2), 3.867?(7) and 3.853?(2)?Å. Hirshfeld surface analysis has been used to confirm and qu-antify the supra-molecular inter-actions.

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