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1,3-Bis[4-(dimethyl-amino)benz-yl]-4,5,6,7-tetra-hydro-1H-1,3-diazepan-2-ium chloride.

ABSTRACT: The title N-heterocyclic carbene derivative, C(23)H(33)N(4) (+)·Cl(-), has been synthesized and characterized by elemental analysis, (1)H and (13)C NMR, IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by three C-H?Cl inter-actions. The seven-membered 1,3-diazepane ring has a form inter-mediate between twist-chair and twist-boat.

SUBMITTER: Arslan H

PROVIDER: S-EPMC2968033 | biostudies-literature | 2008 Dec

REPOSITORIES: biostudies-literature

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1,3-Bis[4-(dimethyl-amino)benz-yl]-4,5,6,7-tetra-hydro-1H-1,3-diazepan-2-ium chloride.

Arslan Hakan H Vanderveer Don D Gök Yetkin Y Ozdemir Ismail I Cetinkaya Bekir B

Acta crystallographica. Section E, Structure reports online 20081213 Pt 1

The title N-heterocyclic carbene derivative, C(23)H(33)N(4) (+)·Cl(-), has been synthesized and characterized by elemental analysis, (1)H and (13)C NMR, IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by three C-H⋯Cl inter-actions. The seven-membered 1,3-diazepane ring has a form inter-mediate between twist-chair and twist-boat. ...[more]

PMID: 21581572

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