Cargando…
Crystal structure of bis-p-anizidinegossypol with an unknown solvate
The title compound, C(44)H(44)N(2)O(8), (systematic name: 1,1′,6,6′-tetrahydroxy-5,5′-diisopropyl-8,8′-bis{[(4-methoxyphenyl)iminiumyl]methyl}-3,3′-dimethyl-2,2′-binaphthalene-7,7′-diolate) has been obtained by the addition of p-anizidine to gossypol dissolved in dichloromethane. In the so...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719804/ https://www.ncbi.nlm.nih.gov/pubmed/26870395 http://dx.doi.org/10.1107/S2056989015020393 |
_version_ | 1782410976911425536 |
---|---|
author | Honkeldieva, Muhabbat T. Talipov, Samat A. Kunafiev, Rishad Ibragimov, Bakhtiyar T. |
author_facet | Honkeldieva, Muhabbat T. Talipov, Samat A. Kunafiev, Rishad Ibragimov, Bakhtiyar T. |
author_sort | Honkeldieva, Muhabbat T. |
collection | PubMed |
description | The title compound, C(44)H(44)N(2)O(8), (systematic name: 1,1′,6,6′-tetrahydroxy-5,5′-diisopropyl-8,8′-bis{[(4-methoxyphenyl)iminiumyl]methyl}-3,3′-dimethyl-2,2′-binaphthalene-7,7′-diolate) has been obtained by the addition of p-anizidine to gossypol dissolved in dichloromethane. In the solid state, the title compound exists in the enamine or quinoid form. The two naphthyl moieties are inclined to one another by 72.08 (5)°. The pendant phenyl rings are inclined at 22.26 (14) and 23.86 (13)° to the corresponding naphthyl rings. In the crystal, molecules are incorporated into layers through inversion-related pairs of O—H⋯O interactions [graph sets R (2) (2)(20) and R (2) (2)(10)] and translation-related O—H⋯O interactions [graph set C(15)]. The packing of these layers in the crystal structure gives rise to channels in the [011] direction, with hydrophobic interactions occurring between adjacent layers. The channels are 5–7 Å wide, and the void volume of each cell is 655 Å(3), corresponding to 26.6% of the cell volume. Disordered guest molecules, probably solvent and water molecules, occupy these voids of the crystal; their contribution to the scattering was removed with the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18] of PLATON [Spek (2009 ▸). Acta Cryst. D65, 148–155]. |
format | Online Article Text |
id | pubmed-4719804 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47198042016-02-11 Crystal structure of bis-p-anizidinegossypol with an unknown solvate Honkeldieva, Muhabbat T. Talipov, Samat A. Kunafiev, Rishad Ibragimov, Bakhtiyar T. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(44)H(44)N(2)O(8), (systematic name: 1,1′,6,6′-tetrahydroxy-5,5′-diisopropyl-8,8′-bis{[(4-methoxyphenyl)iminiumyl]methyl}-3,3′-dimethyl-2,2′-binaphthalene-7,7′-diolate) has been obtained by the addition of p-anizidine to gossypol dissolved in dichloromethane. In the solid state, the title compound exists in the enamine or quinoid form. The two naphthyl moieties are inclined to one another by 72.08 (5)°. The pendant phenyl rings are inclined at 22.26 (14) and 23.86 (13)° to the corresponding naphthyl rings. In the crystal, molecules are incorporated into layers through inversion-related pairs of O—H⋯O interactions [graph sets R (2) (2)(20) and R (2) (2)(10)] and translation-related O—H⋯O interactions [graph set C(15)]. The packing of these layers in the crystal structure gives rise to channels in the [011] direction, with hydrophobic interactions occurring between adjacent layers. The channels are 5–7 Å wide, and the void volume of each cell is 655 Å(3), corresponding to 26.6% of the cell volume. Disordered guest molecules, probably solvent and water molecules, occupy these voids of the crystal; their contribution to the scattering was removed with the SQUEEZE routine [Spek (2015 ▸). Acta Cryst. C71, 9–18] of PLATON [Spek (2009 ▸). Acta Cryst. D65, 148–155]. International Union of Crystallography 2015-11-04 /pmc/articles/PMC4719804/ /pubmed/26870395 http://dx.doi.org/10.1107/S2056989015020393 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 T. Talipov, Samat A. Kunafiev, Rishad Ibragimov, Bakhtiyar T. Crystal structure of bis-p-anizidinegossypol with an unknown solvate |
title | Crystal structure of bis-p-anizidinegossypol with an unknown solvate |
title_full | Crystal structure of bis-p-anizidinegossypol with an unknown solvate |
title_fullStr | Crystal structure of bis-p-anizidinegossypol with an unknown solvate |
title_full_unstemmed | Crystal structure of bis-p-anizidinegossypol with an unknown solvate |
title_short | Crystal structure of bis-p-anizidinegossypol with an unknown solvate |
title_sort | crystal structure of bis-p-anizidinegossypol with an unknown solvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719804/ https://www.ncbi.nlm.nih.gov/pubmed/26870395 http://dx.doi.org/10.1107/S2056989015020393 |
work_keys_str_mv | AT honkeldievamuhabbatt crystalstructureofbispanizidinegossypolwithanunknownsolvate AT talipovsamata crystalstructureofbispanizidinegossypolwithanunknownsolvate AT kunafievrishad crystalstructureofbispanizidinegossypolwithanunknownsolvate AT ibragimovbakhtiyart crystalstructureofbispanizidinegossypolwithanunknownsolvate |