4-(Benzo[b]thiophen-3-yl)-1-methylpiperidine-4-carbonitrile

Vijayakumar N. Sonar; Scan Parkin; Peter A. Crooks

doi:10.1107/S1600536804019543

4-(Benzo[b]thiophen-3-yl)-1-methylpiperidine-4-carbonitrile

Vijayakumar N. Sonar, Scan Parkin, Peter A. Crooks

Chemistry

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

1 Scopus citations

Abstract

Crystals of 4-(Benzo[b]thiophen-3-yl)-1-methylpiperidine-4-carbonitrile, were obtained from the reaction of benzo[b]thiophene-3-acetonitrile with mechlorethamine and subsequent crystallization of the product from hexane. The structure of the product was initially indentified by NMR spectroscopy. The x-ray structure determination of the compound was carried out, to obtain more detailed structural information on the conformation of the molecule in the solid state. The results show that there are deviations in the bond angles within the five-membered ring of the benzo[b]thiophene moiety.

Original language	English
Pages (from-to)	o1533-o1534
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	60
Issue number	9
DOIs	https://doi.org/10.1107/S1600536804019543
State	Published - Sep 2004

ASJC Scopus subject areas

Chemistry (all)
Materials Science (all)
Condensed Matter Physics

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abstract = "Crystals of 4-(Benzo[b]thiophen-3-yl)-1-methylpiperidine-4-carbonitrile, were obtained from the reaction of benzo[b]thiophene-3-acetonitrile with mechlorethamine and subsequent crystallization of the product from hexane. The structure of the product was initially indentified by NMR spectroscopy. The x-ray structure determination of the compound was carried out, to obtain more detailed structural information on the conformation of the molecule in the solid state. The results show that there are deviations in the bond angles within the five-membered ring of the benzo[b]thiophene moiety.",

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N2 - Crystals of 4-(Benzo[b]thiophen-3-yl)-1-methylpiperidine-4-carbonitrile, were obtained from the reaction of benzo[b]thiophene-3-acetonitrile with mechlorethamine and subsequent crystallization of the product from hexane. The structure of the product was initially indentified by NMR spectroscopy. The x-ray structure determination of the compound was carried out, to obtain more detailed structural information on the conformation of the molecule in the solid state. The results show that there are deviations in the bond angles within the five-membered ring of the benzo[b]thiophene moiety.

AB - Crystals of 4-(Benzo[b]thiophen-3-yl)-1-methylpiperidine-4-carbonitrile, were obtained from the reaction of benzo[b]thiophene-3-acetonitrile with mechlorethamine and subsequent crystallization of the product from hexane. The structure of the product was initially indentified by NMR spectroscopy. The x-ray structure determination of the compound was carried out, to obtain more detailed structural information on the conformation of the molecule in the solid state. The results show that there are deviations in the bond angles within the five-membered ring of the benzo[b]thiophene moiety.

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4-(Benzo[b]thiophen-3-yl)-1-methylpiperidine-4-carbonitrile

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