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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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]. |
format | Online Article Text |
id | pubmed-4384568 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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