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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.

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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.


Part of the mol­ecular chain formed by translation along a highlighting the C—H⋯O contacts. Only one of the two disordered conformations is shown.
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fig3: Part of the mol­ecular chain formed by translation along a highlighting the C—H⋯O contacts. Only one of the two disordered conformations is shown.

Mentions: Neighbouring mol­ecules related by translation along the a-axis direction are connected by two weak C—H⋯O hydrogen bonds involving O1 and C1 and C9/C9A (Table 1 ▸ and Fig. 3 ▸). This gives one-dimensional supra­molecular chains of mol­ecules that propagate parallel to the crystallographic a-axis direction.


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)

Part of the mol­ecular chain formed by translation along a highlighting the C—H⋯O contacts. Only one of the two disordered conformations is shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

fig3: Part of the mol­ecular chain formed by translation along a highlighting the C—H⋯O contacts. Only one of the two disordered conformations is shown.
Mentions: Neighbouring mol­ecules related by translation along the a-axis direction are connected by two weak C—H⋯O hydrogen bonds involving O1 and C1 and C9/C9A (Table 1 ▸ and Fig. 3 ▸). This gives one-dimensional supra­molecular chains of mol­ecules that propagate parallel to the crystallographic a-axis direction.

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.