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1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate
The title thiazole orange derivative, bearing an alkene substituent, crystallized as a monohydrate of its iodide salt, namely, (Z)-1-(hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate, C(24)H(25)N(2)S(+)·I(−)·H(2)O. The packing features...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9635418/ https://www.ncbi.nlm.nih.gov/pubmed/36340973 http://dx.doi.org/10.1107/S2414314622007970 |
| _version_ | 1784824712859222016 |
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| author | Shank, Nathaniel Stadler, Andrea L. Barrett, Sean P. Padgett, Clifford W. |
| author_facet | Shank, Nathaniel Stadler, Andrea L. Barrett, Sean P. Padgett, Clifford W. |
| author_sort | Shank, Nathaniel |
| collection | PubMed |
| description | The title thiazole orange derivative, bearing an alkene substituent, crystallized as a monohydrate of its iodide salt, namely, (Z)-1-(hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate, C(24)H(25)N(2)S(+)·I(−)·H(2)O. The packing features aromatic π-stacking and van der Waals interactions. The water molecule of crystallization interacts with the cation and anion via O—H⋯N and O—H⋯I hydrogen bonds, respectively. [Image: see text] |
| format | Online Article Text |
| id | pubmed-9635418 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2022 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-96354182022-11-04 1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate Shank, Nathaniel Stadler, Andrea L. Barrett, Sean P. Padgett, Clifford W. IUCrdata Data Reports The title thiazole orange derivative, bearing an alkene substituent, crystallized as a monohydrate of its iodide salt, namely, (Z)-1-(hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate, C(24)H(25)N(2)S(+)·I(−)·H(2)O. The packing features aromatic π-stacking and van der Waals interactions. The water molecule of crystallization interacts with the cation and anion via O—H⋯N and O—H⋯I hydrogen bonds, respectively. [Image: see text] International Union of Crystallography 2022-08-16 /pmc/articles/PMC9635418/ /pubmed/36340973 http://dx.doi.org/10.1107/S2414314622007970 Text en © Shank et al. 2022 https://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. |
| spellingShingle | Data Reports Shank, Nathaniel Stadler, Andrea L. Barrett, Sean P. Padgett, Clifford W. 1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate |
| title | 1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate |
| title_full | 1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate |
| title_fullStr | 1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate |
| title_full_unstemmed | 1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate |
| title_short | 1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate |
| title_sort | 1-(hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate |
| topic | Data Reports |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9635418/ https://www.ncbi.nlm.nih.gov/pubmed/36340973 http://dx.doi.org/10.1107/S2414314622007970 |
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