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Crystal and molecular structures of N -diphenylphosphinyl- and N -diphenylthiophosphinyl- N ′-phenyl guanidines, Ph2P(Y)NC(NH2)NHPh (Y=O,S)

Identifieur interne : 000269 ( France/Analysis ); précédent : 000268; suivant : 000270

Crystal and molecular structures of N -diphenylphosphinyl- and N -diphenylthiophosphinyl- N ′-phenyl guanidines, Ph2P(Y)NC(NH2)NHPh (Y=O,S)

Auteurs : N. Inguimbert [France] ; M. Biedermann [Allemagne] ; H. Stoeckli-Evans [Suisse] ; H. Hartung [Allemagne] ; A. Kolbe [Allemagne] ; L. J Ger [Allemagne] ; M. Taillefer [France] ; H.-J Cristau [France]

Source :

RBID : ISTEX:E7C299754274443E0EC0F85A651191C5D9E415B0

English descriptors

Abstract

Abstract: The crystal and molecular structures of the title compounds have been determined. Ph2P(O)NC(NH2)NHPh (1) crystallizes in the space group P212121 with four molecules in the unit cell of dimensions: a=9.183(1), b=11.699(1), c=16.554(2)Å. Ph2P(S)NC(NH2)NHPh (2) crystallizes in the space group P 1 ̄ with four molecules in the unit cell of dimensions: a=9.479(2), b=13.695(1), c=14.037(1)Å, α=82.98(1), β=89.31(1), γ=87.67(1)°. The structures were solved by direct methods. The molecules of 1 and 2 are associated via weak intermolecular NH⋯O (1) and NH⋯S (2) hydrogen bonds, respectively. Besides that, weak intramolecular interactions were observed between the NH2 group and the chalcogen atom in both structures. Additionally, hydrogen bonds were characterized by IR spectroscopy in solution as well as in the solid state in dependence on temperature.

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DOI: 10.1016/S0022-2860(99)00302-6


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ISTEX:E7C299754274443E0EC0F85A651191C5D9E415B0

Le document en format XML

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<term>Thiophosphinyl guanidine</term>
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<term>Geometric parameters</term>
<term>Guanidine</term>
<term>Guanidine fragment</term>
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<term>Structure analyses</term>
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<term>Thiophosphinyl guanidine</term>
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<div type="abstract" xml:lang="en">Abstract: The crystal and molecular structures of the title compounds have been determined. Ph2P(O)NC(NH2)NHPh (1) crystallizes in the space group P212121 with four molecules in the unit cell of dimensions: a=9.183(1), b=11.699(1), c=16.554(2)Å. Ph2P(S)NC(NH2)NHPh (2) crystallizes in the space group P 1 ̄ with four molecules in the unit cell of dimensions: a=9.479(2), b=13.695(1), c=14.037(1)Å, α=82.98(1), β=89.31(1), γ=87.67(1)°. The structures were solved by direct methods. The molecules of 1 and 2 are associated via weak intermolecular NH⋯O (1) and NH⋯S (2) hydrogen bonds, respectively. Besides that, weak intramolecular interactions were observed between the NH2 group and the chalcogen atom in both structures. Additionally, hydrogen bonds were characterized by IR spectroscopy in solution as well as in the solid state in dependence on temperature.</div>
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