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

Kennedy AR, Khalaf AI, Scott FJ, Suckling CJ - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Westchem, Department of Pure & Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, Scotland.

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.

No MeSH data available.


The mol­ecular structure of the title compound with non-H atoms shown as 50% probability displacement ellipsoids. For the disordered fragment, the atoms labelled with the suffix ‘a’ have been shown with hollow bonds whilst all other bonds are shown as solid lines.
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fig2: The mol­ecular structure of the title compound with non-H atoms shown as 50% probability displacement ellipsoids. For the disordered fragment, the atoms labelled with the suffix ‘a’ have been shown with hollow bonds whilst all other bonds are shown as solid lines.

Mentions: The mol­ecular structure of the title compound is shown in Fig. 2 ▸. The amine group is disordered over two equally occupied sites such that the lone pair of the pyramidal N atom is anti to O1 with respect to the plane defined by C1—S1—C9 for the conformer containing N1 but syn for the N1A conformer.


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

Kennedy AR, Khalaf AI, Scott FJ, Suckling CJ - Acta Crystallogr E Crystallogr Commun (2015)

The mol­ecular structure of the title compound with non-H atoms shown as 50% probability displacement ellipsoids. For the disordered fragment, the atoms labelled with the suffix ‘a’ have been shown with hollow bonds whilst all other bonds are shown as solid lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4518984&req=5

fig2: The mol­ecular structure of the title compound with non-H atoms shown as 50% probability displacement ellipsoids. For the disordered fragment, the atoms labelled with the suffix ‘a’ have been shown with hollow bonds whilst all other bonds are shown as solid lines.
Mentions: The mol­ecular structure of the title compound is shown in Fig. 2 ▸. The amine group is disordered over two equally occupied sites such that the lone pair of the pyramidal N atom is anti to O1 with respect to the plane defined by C1—S1—C9 for the conformer containing N1 but syn for the N1A conformer.

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Westchem, Department of Pure & Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, Scotland.

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.

No MeSH data available.