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Mol­ecular and crystal structure of gossypol tetra­methyl ether with an unknown solvate

The title compound, C(34)H(38)O(8) (systematic name: 5,5′-diisopropyl-2,2′,3,3′-tetra­meth­oxy-7,7′-dimethyl-2H,2′H-8,8′-bi­[naphtho­[1,8-bc]furan]-4,4′-diol), has been obtained from a gossypol solution in a mixture of dimethyl sulfate and methanol. The mol­ecule is situated on a twofold rotation ax...

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Autores principales: Honkeldieva, Muhabbat, Talipov, Samat, Mardanov, Rustam, Ibragimov, Bakhtiyar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384568/
https://www.ncbi.nlm.nih.gov/pubmed/25878814
http://dx.doi.org/10.1107/S2056989015000171
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author Honkeldieva, Muhabbat
Talipov, Samat
Mardanov, Rustam
Ibragimov, Bakhtiyar
author_facet Honkeldieva, Muhabbat
Talipov, Samat
Mardanov, Rustam
Ibragimov, Bakhtiyar
author_sort Honkeldieva, Muhabbat
collection PubMed
description The title compound, C(34)H(38)O(8) (systematic name: 5,5′-diisopropyl-2,2′,3,3′-tetra­meth­oxy-7,7′-dimethyl-2H,2′H-8,8′-bi­[naphtho­[1,8-bc]furan]-4,4′-diol), has been obtained from a gossypol solution in a mixture of dimethyl sulfate and methanol. The mol­ecule is situated on a twofold rotation axis, so the asymmetric unit contains one half-mol­ecule. In the mol­ecule, the hy­droxy groups are involved in intra­molecular O—H⋯O hydrogen bonds, and the two naphthyl fragments are inclined each to other by 83.8 (1)°. In the crystal, weak C—H⋯O and C—H⋯π inter­actions consolidate the packing, which exhibits channels with an approximate diameter of 6 Å extending along the c-axis direction. These channels are filled with highly disordered solvent mol­ecules, so their estimated scattering contribution was subtracted from the observed diffraction data using the SQUEEZE option in PLATON [Spek, A. L. (2015). Acta Cryst. C71, 9–18].
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spelling pubmed-43845682015-04-15 Mol­ecular and crystal structure of gossypol tetra­methyl ether with an unknown solvate Honkeldieva, Muhabbat Talipov, Samat Mardanov, Rustam Ibragimov, Bakhtiyar Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(34)H(38)O(8) (systematic name: 5,5′-diisopropyl-2,2′,3,3′-tetra­meth­oxy-7,7′-dimethyl-2H,2′H-8,8′-bi­[naphtho­[1,8-bc]furan]-4,4′-diol), has been obtained from a gossypol solution in a mixture of dimethyl sulfate and methanol. The mol­ecule is situated on a twofold rotation axis, so the asymmetric unit contains one half-mol­ecule. In the mol­ecule, the hy­droxy groups are involved in intra­molecular O—H⋯O hydrogen bonds, and the two naphthyl fragments are inclined each to other by 83.8 (1)°. In the crystal, weak C—H⋯O and C—H⋯π inter­actions consolidate the packing, which exhibits channels with an approximate diameter of 6 Å extending along the c-axis direction. These channels are filled with highly disordered solvent mol­ecules, so their estimated scattering contribution was subtracted from the observed diffraction data using the SQUEEZE option in PLATON [Spek, A. L. (2015). Acta Cryst. C71, 9–18]. International Union of Crystallography 2015-01-21 /pmc/articles/PMC4384568/ /pubmed/25878814 http://dx.doi.org/10.1107/S2056989015000171 Text en © Honkeldieva et al. 2015 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 Research Communications
Honkeldieva, Muhabbat
Talipov, Samat
Mardanov, Rustam
Ibragimov, Bakhtiyar
Mol­ecular and crystal structure of gossypol tetra­methyl ether with an unknown solvate
title Mol­ecular and crystal structure of gossypol tetra­methyl ether with an unknown solvate
title_full Mol­ecular and crystal structure of gossypol tetra­methyl ether with an unknown solvate
title_fullStr Mol­ecular and crystal structure of gossypol tetra­methyl ether with an unknown solvate
title_full_unstemmed Mol­ecular and crystal structure of gossypol tetra­methyl ether with an unknown solvate
title_short Mol­ecular and crystal structure of gossypol tetra­methyl ether with an unknown solvate
title_sort mol­ecular and crystal structure of gossypol tetra­methyl ether with an unknown solvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384568/
https://www.ncbi.nlm.nih.gov/pubmed/25878814
http://dx.doi.org/10.1107/S2056989015000171
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