Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole
The X-ray crystal structure of a multi-aromatic substituted 1,2,3-triazole is presented, which shows an extensive three-dimensional hydrogen-bonding network involving two water molecules and two acetonitrile molecules. The structure of 4-{[(4-{[1-({[(3,4-dimethoxyphenyl)methyl](3-acetamidophenyl)car...
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International Union of Crystallography
2025-01-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
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| Online Access: | https://journals.iucr.org/paper?S2056989024011915 |
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| author | Jonathan Filley |
| author_facet | Jonathan Filley |
| author_sort | Jonathan Filley |
| collection | DOAJ |
| description | The X-ray crystal structure of a multi-aromatic substituted 1,2,3-triazole is presented, which shows an extensive three-dimensional hydrogen-bonding network involving two water molecules and two acetonitrile molecules. The structure of 4-{[(4-{[1-({[(3,4-dimethoxyphenyl)methyl](3-acetamidophenyl)carbamoyl}methyl)-1H-1,2,3-triazol-4-yl]methoxy}-3-methoxyphenyl)methyl]amino}benzoic acid–acetonitrile–water (1/2/2), C37H38N6O8·2C2H3N·2H2O, features amine-linked aromatic groups that have a variety functionality including a carboxylic acid, an acetamido group, and methoxy ethers. All X—H groups, and seven out of ten heteroatoms with available lone-pair electrons, participate in hydrogen bonding, with the aid of dimer-bridging water molecules and acetonitrile molecules whose methyl groups form close contacts with oxygen atoms. The triazole itself is a dimer made using click chemistry from readily available and inexpensive starting materials and is a precursor to larger oligomers, as well as to compounds with a wide array of readily manipulated functionality. |
| format | Article |
| id | doaj-art-1cf5afe9fae84b898c323b927735771f |
| institution | Kabale University |
| issn | 2056-9890 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-1cf5afe9fae84b898c323b927735771f2025-01-06T09:23:11ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902025-01-01811384110.1107/S2056989024011915ev2012Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazoleJonathan Filley0Oligometrics, Inc., 2510 47th Street, Suite 208, Boulder, CO, 80301, USAThe X-ray crystal structure of a multi-aromatic substituted 1,2,3-triazole is presented, which shows an extensive three-dimensional hydrogen-bonding network involving two water molecules and two acetonitrile molecules. The structure of 4-{[(4-{[1-({[(3,4-dimethoxyphenyl)methyl](3-acetamidophenyl)carbamoyl}methyl)-1H-1,2,3-triazol-4-yl]methoxy}-3-methoxyphenyl)methyl]amino}benzoic acid–acetonitrile–water (1/2/2), C37H38N6O8·2C2H3N·2H2O, features amine-linked aromatic groups that have a variety functionality including a carboxylic acid, an acetamido group, and methoxy ethers. All X—H groups, and seven out of ten heteroatoms with available lone-pair electrons, participate in hydrogen bonding, with the aid of dimer-bridging water molecules and acetonitrile molecules whose methyl groups form close contacts with oxygen atoms. The triazole itself is a dimer made using click chemistry from readily available and inexpensive starting materials and is a precursor to larger oligomers, as well as to compounds with a wide array of readily manipulated functionality.https://journals.iucr.org/paper?S2056989024011915crystal structureclick chemistrythree-center hydrogen bond |
| spellingShingle | Jonathan Filley Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole Acta Crystallographica Section E: Crystallographic Communications crystal structure click chemistry three-center hydrogen bond |
| title | Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole |
| title_full | Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole |
| title_fullStr | Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole |
| title_full_unstemmed | Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole |
| title_short | Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole |
| title_sort | binary solvent participation in crystals of a multi aromatic 1 2 3 triazole |
| topic | crystal structure click chemistry three-center hydrogen bond |
| url | https://journals.iucr.org/paper?S2056989024011915 |
| work_keys_str_mv | AT jonathanfilley binarysolventparticipationincrystalsofamultiaromatic123triazole |