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Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate
In the title hydrate, C(11)H(11)NO(6)·H(2)O, the organic molecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.129 Å) and an intramolecular O—H⋯O hydrogen bond closes an S(6) ring. In the crystal, the benzoic acid group participates in an O—H⋯O hydrogen bond to the water mole...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257440/ https://www.ncbi.nlm.nih.gov/pubmed/25553029 http://dx.doi.org/10.1107/S1600536814024581 |
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| author | Tahir, Muhammad Nawaz Ahmed, Muhammad Naeem Butt, Arshad Farooq Shad, Hazoor Ahmad |
| author_facet | Tahir, Muhammad Nawaz Ahmed, Muhammad Naeem Butt, Arshad Farooq Shad, Hazoor Ahmad |
| author_sort | Tahir, Muhammad Nawaz |
| collection | PubMed |
| description | In the title hydrate, C(11)H(11)NO(6)·H(2)O, the organic molecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.129 Å) and an intramolecular O—H⋯O hydrogen bond closes an S(6) ring. In the crystal, the benzoic acid group participates in an O—H⋯O hydrogen bond to the water molecule and accepts a similar bond from another water molecule. The other –CO(2)H group forms a carboxylic acid inversion dimer, thereby forming an R (2) (2)(8) loop. These bonds, along with N—H⋯O and C—H⋯O interactions, generate a three-dimensional network. |
| format | Online Article Text |
| id | pubmed-4257440 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2014 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-42574402014-12-31 Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate Tahir, Muhammad Nawaz Ahmed, Muhammad Naeem Butt, Arshad Farooq Shad, Hazoor Ahmad Acta Crystallogr Sect E Struct Rep Online Data Reports In the title hydrate, C(11)H(11)NO(6)·H(2)O, the organic molecule is approximately planar (r.m.s. deviation for the non-H atoms = 0.129 Å) and an intramolecular O—H⋯O hydrogen bond closes an S(6) ring. In the crystal, the benzoic acid group participates in an O—H⋯O hydrogen bond to the water molecule and accepts a similar bond from another water molecule. The other –CO(2)H group forms a carboxylic acid inversion dimer, thereby forming an R (2) (2)(8) loop. These bonds, along with N—H⋯O and C—H⋯O interactions, generate a three-dimensional network. International Union of Crystallography 2014-11-15 /pmc/articles/PMC4257440/ /pubmed/25553029 http://dx.doi.org/10.1107/S1600536814024581 Text en © Tahir et al. 2014 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 | Data Reports Tahir, Muhammad Nawaz Ahmed, Muhammad Naeem Butt, Arshad Farooq Shad, Hazoor Ahmad Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate |
| title | Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate |
| title_full | Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate |
| title_fullStr | Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate |
| title_full_unstemmed | Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate |
| title_short | Crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate |
| title_sort | crystal structure of 4-(3-carboxypropanamido)-2-hydroxybenzoic acid monohydrate |
| topic | Data Reports |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257440/ https://www.ncbi.nlm.nih.gov/pubmed/25553029 http://dx.doi.org/10.1107/S1600536814024581 |
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