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2D HETCOR NMR Spectrum and Structure of Dicarbonyl(η 5 ‐N, N‐dimethylcarbamoylcyclopentadienyl)nitrosylchromium [η 5 ‐C 5 H 4 CON(CH 3 ) 2 )]Cr(CO) 2 (NO)
Author(s) -
Wang YuPin,
Liu XenHum,
Cheng HsiuYao,
Lin TsoShen
Publication year - 2016
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.201500205
Subject(s) - chemistry , monoclinic crystal system , crystallography , nuclear magnetic resonance spectroscopy , ring (chemistry) , chromium , carbon 13 , x ray crystallography , crystal structure , stereochemistry , diffraction , organic chemistry , physics , quantum mechanics , optics
Dicarbonyl(η 5 ‐N,N‐dimethylcarbamoylcyclopentadienyl)nitrosylchromium ( 5 ) was prepared by the reaction of the corresponding acid chloride with dimethylamine. The structure of 5 has been determined by X‐ray diffraction studies: space group, P‐1; monoclinic; a=6.406(7), b=8.805(8), c=10.710(10) Å, α=91.73(8), β=93.67(8), γ=101.96(8)°; Z=2. The exocyclic carbon is bent away from the chromium atom with a θ angle of −0.27°. The nitrosyl group is cisoid to the exocyclic carbonyl carbon of the Cp(Cr) ring with a twist angle of 63.27°. The chemical shifts of C(2,5) and C(3,4) on the Cp ring has been assigned using two‐dimensional HETCOR NMR spectroscopy.