Triethyl­ammonium O-3β-cholest-5-en-3-yl (4-meth­oxy­phen­yl)dithio­phospho­nate

In the crystal structure of the title compound, C(6)H(16)N(+)·C(34)H(52)O(2)PS(2) (−) or [(CH(3)CH(2))(3)NH](+)·[C(34)H(52)O(2)PS(2)](−), the cation and anion are paired via weak, inter­molecular, bifurcated N—H⋯(S,S) hydrogen bonds. The cholesteryl units form an alternating (herringbone) motif as w...

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Detalles Bibliográficos
Autores principales: Van Der Walt, Hendriette, Muller, Alfred, van Zyl, Werner E.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007563/
https://www.ncbi.nlm.nih.gov/pubmed/21588433
http://dx.doi.org/10.1107/S1600536810029703
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author Van Der Walt, Hendriette
Muller, Alfred
van Zyl, Werner E.
author_facet Van Der Walt, Hendriette
Muller, Alfred
van Zyl, Werner E.
author_sort Van Der Walt, Hendriette
collection PubMed
description In the crystal structure of the title compound, C(6)H(16)N(+)·C(34)H(52)O(2)PS(2) (−) or [(CH(3)CH(2))(3)NH](+)·[C(34)H(52)O(2)PS(2)](−), the cation and anion are paired via weak, inter­molecular, bifurcated N—H⋯(S,S) hydrogen bonds. The cholesteryl units form an alternating (herringbone) motif as well as an infinitely stacked layered structure along the b axis. The P—S bond lengths [1.975 (2) and 1.981 (2) Å compared with ca 1.92 Å for a formal P=S double bond and with ca 2.01 Å for a P—S single bond] suggest delocalization of the negative charge between the P—S bonds. A distorted tetra­hedral geometry around the P atom is revealed by non-ideal O—P—C and S—P—S bond angles of 96.7 (2) and 115.52 (11)°, respectively.
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spelling pubmed-30075632010-12-30 Triethyl­ammonium O-3β-cholest-5-en-3-yl (4-meth­oxy­phen­yl)dithio­phospho­nate Van Der Walt, Hendriette Muller, Alfred van Zyl, Werner E. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(6)H(16)N(+)·C(34)H(52)O(2)PS(2) (−) or [(CH(3)CH(2))(3)NH](+)·[C(34)H(52)O(2)PS(2)](−), the cation and anion are paired via weak, inter­molecular, bifurcated N—H⋯(S,S) hydrogen bonds. The cholesteryl units form an alternating (herringbone) motif as well as an infinitely stacked layered structure along the b axis. The P—S bond lengths [1.975 (2) and 1.981 (2) Å compared with ca 1.92 Å for a formal P=S double bond and with ca 2.01 Å for a P—S single bond] suggest delocalization of the negative charge between the P—S bonds. A distorted tetra­hedral geometry around the P atom is revealed by non-ideal O—P—C and S—P—S bond angles of 96.7 (2) and 115.52 (11)°, respectively. International Union of Crystallography 2010-07-31 /pmc/articles/PMC3007563/ /pubmed/21588433 http://dx.doi.org/10.1107/S1600536810029703 Text en © Van Der Walt et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Van Der Walt, Hendriette
Muller, Alfred
van Zyl, Werner E.
Triethyl­ammonium O-3β-cholest-5-en-3-yl (4-meth­oxy­phen­yl)dithio­phospho­nate
title Triethyl­ammonium O-3β-cholest-5-en-3-yl (4-meth­oxy­phen­yl)dithio­phospho­nate
title_full Triethyl­ammonium O-3β-cholest-5-en-3-yl (4-meth­oxy­phen­yl)dithio­phospho­nate
title_fullStr Triethyl­ammonium O-3β-cholest-5-en-3-yl (4-meth­oxy­phen­yl)dithio­phospho­nate
title_full_unstemmed Triethyl­ammonium O-3β-cholest-5-en-3-yl (4-meth­oxy­phen­yl)dithio­phospho­nate
title_short Triethyl­ammonium O-3β-cholest-5-en-3-yl (4-meth­oxy­phen­yl)dithio­phospho­nate
title_sort triethyl­ammonium o-3β-cholest-5-en-3-yl (4-meth­oxy­phen­yl)dithio­phospho­nate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007563/
https://www.ncbi.nlm.nih.gov/pubmed/21588433
http://dx.doi.org/10.1107/S1600536810029703
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AT mulleralfred triethylammoniumo3bcholest5en3yl4methoxyphenyldithiophosphonate
AT vanzylwernere triethylammoniumo3bcholest5en3yl4methoxyphenyldithiophosphonate

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