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Crystal structure of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate
In the crystal of the title vanilline derivative, 2C(15)H(15)NO(4)·H(2)O, the secondary amine molecule is accompanied by half equivalent of water. The molecule is non-planar, with torsion angle C(aryl)—CH(2)—NH—C(aryl) of −83.9 (2)°. In the crystal, the system of O—H⋯O hydrogen bonds, including...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362667/ https://www.ncbi.nlm.nih.gov/pubmed/30800443 http://dx.doi.org/10.1107/S2056989018018455 |
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| author | Kamaal, Saima Faizi, Md. Serajul Haque Ali, Arif Ahmad, Musheer Gupta, Mayank Dege, Necmi Iskenderov, Turganbay |
| author_facet | Kamaal, Saima Faizi, Md. Serajul Haque Ali, Arif Ahmad, Musheer Gupta, Mayank Dege, Necmi Iskenderov, Turganbay |
| author_sort | Kamaal, Saima |
| collection | PubMed |
| description | In the crystal of the title vanilline derivative, 2C(15)H(15)NO(4)·H(2)O, the secondary amine molecule is accompanied by half equivalent of water. The molecule is non-planar, with torsion angle C(aryl)—CH(2)—NH—C(aryl) of −83.9 (2)°. In the crystal, the system of O—H⋯O hydrogen bonds, including bridging water molecules residing on crystallographic twofold axes, results in a two-dimensional layered structure. Within the layers, there are also weak N—H⋯π interactions involving the vanilline benzene ring. |
| format | Online Article Text |
| id | pubmed-6362667 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2019 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-63626672019-02-22 Crystal structure of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate Kamaal, Saima Faizi, Md. Serajul Haque Ali, Arif Ahmad, Musheer Gupta, Mayank Dege, Necmi Iskenderov, Turganbay Acta Crystallogr E Crystallogr Commun Research Communications In the crystal of the title vanilline derivative, 2C(15)H(15)NO(4)·H(2)O, the secondary amine molecule is accompanied by half equivalent of water. The molecule is non-planar, with torsion angle C(aryl)—CH(2)—NH—C(aryl) of −83.9 (2)°. In the crystal, the system of O—H⋯O hydrogen bonds, including bridging water molecules residing on crystallographic twofold axes, results in a two-dimensional layered structure. Within the layers, there are also weak N—H⋯π interactions involving the vanilline benzene ring. International Union of Crystallography 2019-01-08 /pmc/articles/PMC6362667/ /pubmed/30800443 http://dx.doi.org/10.1107/S2056989018018455 Text en © Kamaal et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
| spellingShingle | Research Communications Kamaal, Saima Faizi, Md. Serajul Haque Ali, Arif Ahmad, Musheer Gupta, Mayank Dege, Necmi Iskenderov, Turganbay Crystal structure of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate |
| title | Crystal structure of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate |
| title_full | Crystal structure of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate |
| title_fullStr | Crystal structure of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate |
| title_full_unstemmed | Crystal structure of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate |
| title_short | Crystal structure of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate |
| title_sort | crystal structure of 4-[(2-hydroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362667/ https://www.ncbi.nlm.nih.gov/pubmed/30800443 http://dx.doi.org/10.1107/S2056989018018455 |
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