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(2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}-1-(4-bromophenyl)prop-2-en-1-one monohydrate
In the title compound, C(25)H(21)BrN(2)O(3)·H(2)O, the benzimidazole fragment and the water molecule of crystallization are each disordered over two sets of sites of equal occupancy. The dihedral angles between the least-squares planes of the benzimidazole and the 3-ethoxy- and 4-bromobenzene rin...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099940/ https://www.ncbi.nlm.nih.gov/pubmed/21754118 http://dx.doi.org/10.1107/S1600536811008154 |
| _version_ | 1782204120830050304 |
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| author | Jasinski, Jerry P. Miller, William M. Samshuddin, S. Narayana, B. Yathirajan, H. S. |
| author_facet | Jasinski, Jerry P. Miller, William M. Samshuddin, S. Narayana, B. Yathirajan, H. S. |
| author_sort | Jasinski, Jerry P. |
| collection | PubMed |
| description | In the title compound, C(25)H(21)BrN(2)O(3)·H(2)O, the benzimidazole fragment and the water molecule of crystallization are each disordered over two sets of sites of equal occupancy. The dihedral angles between the least-squares planes of the benzimidazole and the 3-ethoxy- and 4-bromobenzene rings are 86.9 (6) and 85.1 (1)°, respectively in one disorder component. The crystal packing is stabilized by intermolecular O—H⋯O, O—H⋯N and N—H⋯N hydrogen bonds, which link the molecules into chains along the a axis. |
| format | Text |
| id | pubmed-3099940 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-30999402011-07-13 (2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}-1-(4-bromophenyl)prop-2-en-1-one monohydrate Jasinski, Jerry P. Miller, William M. Samshuddin, S. Narayana, B. Yathirajan, H. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(25)H(21)BrN(2)O(3)·H(2)O, the benzimidazole fragment and the water molecule of crystallization are each disordered over two sets of sites of equal occupancy. The dihedral angles between the least-squares planes of the benzimidazole and the 3-ethoxy- and 4-bromobenzene rings are 86.9 (6) and 85.1 (1)°, respectively in one disorder component. The crystal packing is stabilized by intermolecular O—H⋯O, O—H⋯N and N—H⋯N hydrogen bonds, which link the molecules into chains along the a axis. International Union of Crystallography 2011-03-12 /pmc/articles/PMC3099940/ /pubmed/21754118 http://dx.doi.org/10.1107/S1600536811008154 Text en © Jasinski et al. 2011 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 | Organic Papers Jasinski, Jerry P. Miller, William M. Samshuddin, S. Narayana, B. Yathirajan, H. S. (2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}-1-(4-bromophenyl)prop-2-en-1-one monohydrate |
| title | (2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}-1-(4-bromophenyl)prop-2-en-1-one monohydrate |
| title_full | (2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}-1-(4-bromophenyl)prop-2-en-1-one monohydrate |
| title_fullStr | (2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}-1-(4-bromophenyl)prop-2-en-1-one monohydrate |
| title_full_unstemmed | (2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}-1-(4-bromophenyl)prop-2-en-1-one monohydrate |
| title_short | (2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}-1-(4-bromophenyl)prop-2-en-1-one monohydrate |
| title_sort | (2e)-3-{4-[(1h-1,3-benzimidazol-2-yl)methoxy]-3-ethoxyphenyl}-1-(4-bromophenyl)prop-2-en-1-one monohydrate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099940/ https://www.ncbi.nlm.nih.gov/pubmed/21754118 http://dx.doi.org/10.1107/S1600536811008154 |
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