(±)-4,12,15,18,26-Penta­hydroxy-13,17-dioxahepta­cyclo­[14.10.0.0(3,14).0(4,12).0(6,11).0(18,26).0(19,24)]hexa­cosa-1,3(14),6(11),7,9,15,19,21,23-nona­ene-5,25-dione monohydrate

The title compound, C(24)H(14)O(9)·H(2)O, displays a cup-shaped form. The water mol­ecule is disordered over two set of sites with an occupancy ratio of 0.78:0.22. The mol­ecule of the compound has four stereocenters and corresponds to the SSRR/RRSS diastereoisomer. In the mol­ecule, the maximum dih...

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Detalles Bibliográficos
Autores principales: Mahmood, Khalid, Yaqub, Muhammad, Tahir, M. Nawaz, Shafiq, Zahid, Qureshi, Ashfaq Mahmood
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099947/
https://www.ncbi.nlm.nih.gov/pubmed/21754184
http://dx.doi.org/10.1107/S1600536811009573
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author Mahmood, Khalid
Yaqub, Muhammad
Tahir, M. Nawaz
Shafiq, Zahid
Qureshi, Ashfaq Mahmood
author_facet Mahmood, Khalid
Yaqub, Muhammad
Tahir, M. Nawaz
Shafiq, Zahid
Qureshi, Ashfaq Mahmood
author_sort Mahmood, Khalid
collection PubMed
description The title compound, C(24)H(14)O(9)·H(2)O, displays a cup-shaped form. The water mol­ecule is disordered over two set of sites with an occupancy ratio of 0.78:0.22. The mol­ecule of the compound has four stereocenters and corresponds to the SSRR/RRSS diastereoisomer. In the mol­ecule, the maximum dihedral angle between the planar benzene rings is 80.40 (4)°. The H atoms of the hy­droxy groups are engaged in hydrogen bonding, forming infinite chains parallel to the a axis. These chains are inter­linked through water mol­ecules, resulting in the formation of a two-dimensional network parallel to the (001) plane. Futhermore C—H⋯O, C—H⋯π and slipped π–π inter­actions result in the formation of a three-dimensional network.
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spelling pubmed-30999472011-07-13 (±)-4,12,15,18,26-Penta­hydroxy-13,17-dioxahepta­cyclo­[14.10.0.0(3,14).0(4,12).0(6,11).0(18,26).0(19,24)]hexa­cosa-1,3(14),6(11),7,9,15,19,21,23-nona­ene-5,25-dione monohydrate Mahmood, Khalid Yaqub, Muhammad Tahir, M. Nawaz Shafiq, Zahid Qureshi, Ashfaq Mahmood Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(24)H(14)O(9)·H(2)O, displays a cup-shaped form. The water mol­ecule is disordered over two set of sites with an occupancy ratio of 0.78:0.22. The mol­ecule of the compound has four stereocenters and corresponds to the SSRR/RRSS diastereoisomer. In the mol­ecule, the maximum dihedral angle between the planar benzene rings is 80.40 (4)°. The H atoms of the hy­droxy groups are engaged in hydrogen bonding, forming infinite chains parallel to the a axis. These chains are inter­linked through water mol­ecules, resulting in the formation of a two-dimensional network parallel to the (001) plane. Futhermore C—H⋯O, C—H⋯π and slipped π–π inter­actions result in the formation of a three-dimensional network. International Union of Crystallography 2011-03-19 /pmc/articles/PMC3099947/ /pubmed/21754184 http://dx.doi.org/10.1107/S1600536811009573 Text en © Mahmood et al. 2011 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
Mahmood, Khalid
Yaqub, Muhammad
Tahir, M. Nawaz
Shafiq, Zahid
Qureshi, Ashfaq Mahmood
(±)-4,12,15,18,26-Penta­hydroxy-13,17-dioxahepta­cyclo­[14.10.0.0(3,14).0(4,12).0(6,11).0(18,26).0(19,24)]hexa­cosa-1,3(14),6(11),7,9,15,19,21,23-nona­ene-5,25-dione monohydrate
title (±)-4,12,15,18,26-Penta­hydroxy-13,17-dioxahepta­cyclo­[14.10.0.0(3,14).0(4,12).0(6,11).0(18,26).0(19,24)]hexa­cosa-1,3(14),6(11),7,9,15,19,21,23-nona­ene-5,25-dione monohydrate
title_full (±)-4,12,15,18,26-Penta­hydroxy-13,17-dioxahepta­cyclo­[14.10.0.0(3,14).0(4,12).0(6,11).0(18,26).0(19,24)]hexa­cosa-1,3(14),6(11),7,9,15,19,21,23-nona­ene-5,25-dione monohydrate
title_fullStr (±)-4,12,15,18,26-Penta­hydroxy-13,17-dioxahepta­cyclo­[14.10.0.0(3,14).0(4,12).0(6,11).0(18,26).0(19,24)]hexa­cosa-1,3(14),6(11),7,9,15,19,21,23-nona­ene-5,25-dione monohydrate
title_full_unstemmed (±)-4,12,15,18,26-Penta­hydroxy-13,17-dioxahepta­cyclo­[14.10.0.0(3,14).0(4,12).0(6,11).0(18,26).0(19,24)]hexa­cosa-1,3(14),6(11),7,9,15,19,21,23-nona­ene-5,25-dione monohydrate
title_short (±)-4,12,15,18,26-Penta­hydroxy-13,17-dioxahepta­cyclo­[14.10.0.0(3,14).0(4,12).0(6,11).0(18,26).0(19,24)]hexa­cosa-1,3(14),6(11),7,9,15,19,21,23-nona­ene-5,25-dione monohydrate
title_sort (±)-4,12,15,18,26-penta­hydroxy-13,17-dioxahepta­cyclo­[14.10.0.0(3,14).0(4,12).0(6,11).0(18,26).0(19,24)]hexa­cosa-1,3(14),6(11),7,9,15,19,21,23-nona­ene-5,25-dione monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099947/
https://www.ncbi.nlm.nih.gov/pubmed/21754184
http://dx.doi.org/10.1107/S1600536811009573
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