Crystal structure of 2, 2-dichloro-1-(piperidin-1-yl)ethanone

Markus Schwierz; Helmar Görls; Wolfgang Imhof; William Thomas Alexander Harrison

doi:10.1107/S205698901402708X

Crystal structure of 2, 2-dichloro-1-(piperidin-1-yl)ethanone

Markus Schwierz, Helmar Görls, Wolfgang Imhof^*, William Thomas Alexander Harrison

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

In the title compound, C₇H₁₁Cl₂NO, the piperidine ring shows a chair conformation and the bond-angle sum at the N atom is 359.9°. The H atom of the dichloromethyl group is in an eclipsed conformation with respect to the carbonyl group (H - C - C=O = - 5°). In the crystal, inversion dimers are linked by pairs of C - H⋯O hydrogen bonds between the dichloromethyl group and the carbonyl O atom, which generate R ²₂(8) loops. The dimers are linked into a ladderlike structure propagating in the [100] direction by short O⋯Cl [3.1084 (9) Å] contacts.

Original language	English
Pages (from-to)	o47
Number of pages	1
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	71
Issue number	1
DOIs	https://doi.org/10.1107/S205698901402708X
Publication status	Published - 1 Jan 2015

Keywords

Crystal structure
Ethanone
Intermolecular Cl⋯O interactions
Piperidine ring
Weak hydrogen bonds

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title = "Crystal structure of 2, 2-dichloro-1-(piperidin-1-yl)ethanone",

abstract = "In the title compound, C7H11Cl2NO, the piperidine ring shows a chair conformation and the bond-angle sum at the N atom is 359.9°. The H atom of the dichloromethyl group is in an eclipsed conformation with respect to the carbonyl group (H - C - C=O = - 5°). In the crystal, inversion dimers are linked by pairs of C - H⋯O hydrogen bonds between the dichloromethyl group and the carbonyl O atom, which generate R 22(8) loops. The dimers are linked into a ladderlike structure propagating in the [100] direction by short O⋯Cl [3.1084 (9) {\AA}] contacts.",

keywords = "Crystal structure, Ethanone, Intermolecular Cl⋯O interactions, Piperidine ring, Weak hydrogen bonds",

author = "Markus Schwierz and Helmar G{\"o}rls and Wolfgang Imhof and Harrison, {William Thomas Alexander}",

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T1 - Crystal structure of 2, 2-dichloro-1-(piperidin-1-yl)ethanone

AU - Schwierz, Markus

AU - Görls, Helmar

AU - Imhof, Wolfgang

AU - Harrison, William Thomas Alexander

N1 - Acknowledgements MS gratefully acknowledges a PhD grant from the Deutsche Bundesstiftung Umwelt.

PY - 2015/1/1

Y1 - 2015/1/1

N2 - In the title compound, C7H11Cl2NO, the piperidine ring shows a chair conformation and the bond-angle sum at the N atom is 359.9°. The H atom of the dichloromethyl group is in an eclipsed conformation with respect to the carbonyl group (H - C - C=O = - 5°). In the crystal, inversion dimers are linked by pairs of C - H⋯O hydrogen bonds between the dichloromethyl group and the carbonyl O atom, which generate R 22(8) loops. The dimers are linked into a ladderlike structure propagating in the [100] direction by short O⋯Cl [3.1084 (9) Å] contacts.

AB - In the title compound, C7H11Cl2NO, the piperidine ring shows a chair conformation and the bond-angle sum at the N atom is 359.9°. The H atom of the dichloromethyl group is in an eclipsed conformation with respect to the carbonyl group (H - C - C=O = - 5°). In the crystal, inversion dimers are linked by pairs of C - H⋯O hydrogen bonds between the dichloromethyl group and the carbonyl O atom, which generate R 22(8) loops. The dimers are linked into a ladderlike structure propagating in the [100] direction by short O⋯Cl [3.1084 (9) Å] contacts.

KW - Crystal structure

KW - Ethanone

KW - Intermolecular Cl⋯O interactions

KW - Piperidine ring

KW - Weak hydrogen bonds

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Crystal structure of 2, 2-dichloro-1-(piperidin-1-yl)ethanone

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