Hexaaqua­(5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)calcium(II) 5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate trihydrate

In the title compound, [Ca(C(15)H(9)O(7)S)(H(2)O)(6)](C(15)H(9)O(7)S)·3H(2)O, the Ca centre has a distorted deca­hedral geometry, coordinated by six O atoms from water mol­ecules and one sulfonate O atom. The crystal structure is stabilized by aromatic π–π inter­actions, with centroid–centroid dista...

Descripción completa

Detalles Bibliográficos
Autores principales: Liu, Bin, Yang, Bo-Lun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Metal-Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959999/
https://www.ncbi.nlm.nih.gov/pubmed/21581174
http://dx.doi.org/10.1107/S1600536808037586
_version_ 1782188634294714368
author Liu, Bin
Yang, Bo-Lun
author_facet Liu, Bin
Yang, Bo-Lun
author_sort Liu, Bin
collection PubMed
description In the title compound, [Ca(C(15)H(9)O(7)S)(H(2)O)(6)](C(15)H(9)O(7)S)·3H(2)O, the Ca centre has a distorted deca­hedral geometry, coordinated by six O atoms from water mol­ecules and one sulfonate O atom. The crystal structure is stabilized by aromatic π–π inter­actions, with centroid–centroid distances of 3.765 (5) and 3.896 (5) Å between the phenyl ring and the benzene ring of the chromene unit of neighbouring mol­ecules. In addition, the stacked mol­ecules exhibit inter- and intra­molecular O—H⋯O hydrogen bonds, including the uncoordinated water mol­ecules.
format Text
id pubmed-2959999
institution National Center for Biotechnology Information
language English
publishDate 2008
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29599992010-12-30 Hexaaqua­(5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)calcium(II) 5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate trihydrate Liu, Bin Yang, Bo-Lun Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Ca(C(15)H(9)O(7)S)(H(2)O)(6)](C(15)H(9)O(7)S)·3H(2)O, the Ca centre has a distorted deca­hedral geometry, coordinated by six O atoms from water mol­ecules and one sulfonate O atom. The crystal structure is stabilized by aromatic π–π inter­actions, with centroid–centroid distances of 3.765 (5) and 3.896 (5) Å between the phenyl ring and the benzene ring of the chromene unit of neighbouring mol­ecules. In addition, the stacked mol­ecules exhibit inter- and intra­molecular O—H⋯O hydrogen bonds, including the uncoordinated water mol­ecules. International Union of Crystallography 2008-11-20 /pmc/articles/PMC2959999/ /pubmed/21581174 http://dx.doi.org/10.1107/S1600536808037586 Text en © Liu and Yang 2008 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 Metal-Organic Papers
Liu, Bin
Yang, Bo-Lun
Hexaaqua­(5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)calcium(II) 5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate trihydrate
title Hexaaqua­(5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)calcium(II) 5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate trihydrate
title_full Hexaaqua­(5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)calcium(II) 5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate trihydrate
title_fullStr Hexaaqua­(5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)calcium(II) 5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate trihydrate
title_full_unstemmed Hexaaqua­(5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)calcium(II) 5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate trihydrate
title_short Hexaaqua­(5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonato)calcium(II) 5,7-dihydr­oxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate trihydrate
title_sort hexaaqua­(5,7-dihydr­oxy-4-oxo-2-phenyl-4h-chromene-8-sulfonato)calcium(ii) 5,7-dihydr­oxy-4-oxo-2-phenyl-4h-chromene-8-sulfonate trihydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959999/
https://www.ncbi.nlm.nih.gov/pubmed/21581174
http://dx.doi.org/10.1107/S1600536808037586
work_keys_str_mv AT liubin hexaaqua57dihydroxy4oxo2phenyl4hchromene8sulfonatocalciumii57dihydroxy4oxo2phenyl4hchromene8sulfonatetrihydrate
AT yangbolun hexaaqua57dihydroxy4oxo2phenyl4hchromene8sulfonatocalciumii57dihydroxy4oxo2phenyl4hchromene8sulfonatetrihydrate

Ejemplares similares