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Molecular structure of 1-(2,4,6-tri-tert-butylphenyl)-4,4-bis(dimethylamino)-1-aza-2,3λ3-phosphabutadiene-1,3
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A. N. Chernega
Published/Copyright:
September 25, 2009
Abstract
The crystal and molecular structure of 1-(2,4,6-tri-tert-butylphenyl)-4,4-bis(dimethylamino)-1-aza-2,3λ3-phosphabutadiene-1,3, Ttb-N=P-P=C(NMe2)2, has been determined (crystal data of C23H41N3P, C2/c; Z=8, monoclinic, a = 17.252(7), b = 9.014(3), c = 32.095(8) Å, β = 94.00(3)). The main geometrical parameters of 1 are: N=P 1.582(5), P-P 2.130(3), P=C 1.808(6) Å, CNP 123.8(4), NPP 111.6(2), PPC 94.1(2), CNPP -0.7, NPPC 176.8o. Peculiarities of the molecular structure 1 (in particular, significant shortening of P-P single bond and realization of C-N=P-P bonds system in sterically unfavourable cis-form) are discussed on the basis of ab initio calculations of the model phosphabutadiene systems.
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Published Online: 2009-9-25
Published in Print: 2001-2-1
© 2001 Oldenbourg Wissenschaftsverlag GmbH
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