4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)Benzoic Acid
In the title compound, C10H9N3O3, there is a small twist between the benzene and triazole rings dihedral angle = 6.32 (7)degrees; the carboxylic acid residue is almost coplanar with the benzene ring to which it is attached O-C-C-C torsion angle = 1.49 (19)degrees. The main deviation from coplanarity...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/6582/1/4-%284-Hydroxymethyl-1H-1%2C2%2C3-triazol-1-yl%29benzoic_acid.pdf |
| _version_ | 1825719240135540736 |
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| author | Ishak, D.H.A. Tajuddin, Hairul Anuar Abdullah, Z. Abd Halim, S.N. Tiekink, E.R.T. |
| author_facet | Ishak, D.H.A. Tajuddin, Hairul Anuar Abdullah, Z. Abd Halim, S.N. Tiekink, E.R.T. |
| author_sort | Ishak, D.H.A. |
| collection | UM |
| description | In the title compound, C10H9N3O3, there is a small twist between the benzene and triazole rings dihedral angle = 6.32 (7)degrees; the carboxylic acid residue is almost coplanar with the benzene ring to which it is attached O-C-C-C torsion angle = 1.49 (19)degrees. The main deviation from coplanarity of the non-H atoms is found for the hydroxy group which is almost perpendicular to the remaining atoms N-C-C-O torsion angle = -75.46 (16)degrees. In the crystal, the presence of O-H center dot center dot center dot O (between carboxyl groups) and O-H center dot center dot center dot N (between the hydroxy group and the triazole ring) hydrogen bonds leads to supramolecular chains along 03 (1) over bar. The chains are connected into sheets via C-H center dot center dot center dot O(hydroxy) interactions. |
| first_indexed | 2024-03-06T05:16:40Z |
| format | Article |
| id | um.eprints-6582 |
| institution | Universiti Malaya |
| language | English |
| last_indexed | 2024-03-06T05:16:40Z |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | um.eprints-65822019-01-31T04:18:08Z http://eprints.um.edu.my/6582/ 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)Benzoic Acid Ishak, D.H.A. Tajuddin, Hairul Anuar Abdullah, Z. Abd Halim, S.N. Tiekink, E.R.T. QD Chemistry In the title compound, C10H9N3O3, there is a small twist between the benzene and triazole rings dihedral angle = 6.32 (7)degrees; the carboxylic acid residue is almost coplanar with the benzene ring to which it is attached O-C-C-C torsion angle = 1.49 (19)degrees. The main deviation from coplanarity of the non-H atoms is found for the hydroxy group which is almost perpendicular to the remaining atoms N-C-C-O torsion angle = -75.46 (16)degrees. In the crystal, the presence of O-H center dot center dot center dot O (between carboxyl groups) and O-H center dot center dot center dot N (between the hydroxy group and the triazole ring) hydrogen bonds leads to supramolecular chains along 03 (1) over bar. The chains are connected into sheets via C-H center dot center dot center dot O(hydroxy) interactions. International Union of Crystallography 2011 Article PeerReviewed application/pdf en http://eprints.um.edu.my/6582/1/4-%284-Hydroxymethyl-1H-1%2C2%2C3-triazol-1-yl%29benzoic_acid.pdf Ishak, D.H.A. and Tajuddin, Hairul Anuar and Abdullah, Z. and Abd Halim, S.N. and Tiekink, E.R.T. (2011) 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)Benzoic Acid. Acta Crystallographica Section E: Structure Reports Online, 67 (Pt 7). O1658-U431. ISSN 1600-5368, DOI https://doi.org/10.1107/s1600536811022409 <https://doi.org/10.1107/s1600536811022409>. 10.1107/s1600536811022409 |
| spellingShingle | QD Chemistry Ishak, D.H.A. Tajuddin, Hairul Anuar Abdullah, Z. Abd Halim, S.N. Tiekink, E.R.T. 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)Benzoic Acid |
| title | 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)Benzoic Acid |
| title_full | 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)Benzoic Acid |
| title_fullStr | 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)Benzoic Acid |
| title_full_unstemmed | 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)Benzoic Acid |
| title_short | 4-(4-Hydroxymethyl-1H-1,2,3-triazol-1-yl)Benzoic Acid |
| title_sort | 4 4 hydroxymethyl 1h 1 2 3 triazol 1 yl benzoic acid |
| topic | QD Chemistry |
| url | http://eprints.um.edu.my/6582/1/4-%284-Hydroxymethyl-1H-1%2C2%2C3-triazol-1-yl%29benzoic_acid.pdf |
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