1-Anilino-5-methyl-1H-1,2,3-triazole-4-carbaldehyde
The title compound, C10H10N4O, is twisted about the Nring-Namine bond with the dihedral angle between the 1,2,3-triazolyl and N-bound phenyl rings being 79.14 (9)°. The C-bound aldehyde group is coplanar with the triazolyl ring, with the N-C-C-O torsion angle being 3.5 (3)°. While coplanar, the alde...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016
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| Subjects: | |
| Online Access: | http://eprints.sunway.edu.my/664/ http://eprints.sunway.edu.my/664/1/IUCrData%202016%201%20x160038.pdf |
| _version_ | 1848801872870113280 |
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| author | Cunha, Anna C. Jordão, Alessandro K. Souza, Maria C. B. V. de Ferreira, Vitor F. Almeida, Maria C. B. de Wardell, James L. Tiekink, Edward R. T. * |
| author_facet | Cunha, Anna C. Jordão, Alessandro K. Souza, Maria C. B. V. de Ferreira, Vitor F. Almeida, Maria C. B. de Wardell, James L. Tiekink, Edward R. T. * |
| author_sort | Cunha, Anna C. |
| building | SU Institutional Repository |
| collection | Online Access |
| description | The title compound, C10H10N4O, is twisted about the Nring-Namine bond with the dihedral angle between the 1,2,3-triazolyl and N-bound phenyl rings being 79.14 (9)°. The C-bound aldehyde group is coplanar with the triazolyl ring, with the N-C-C-O torsion angle being 3.5 (3)°. While coplanar, the aldehyde O atom is orientated in the opposite direction to the triazolyl-bound methyl group. The most prominent feature of the molecular packing is the formation of zigzag chains (glide symmetry) along the b axis and mediated by amine-N-H...N(triazolyl) hydrogen bonds. The chains are connected into supramolecular layers by phenyl- and methyl-C-H...O(aldehyde) interactions, with phenyl groups projecting to either side. Layers stack along the c axis with no directional interactions between them. |
| first_indexed | 2025-11-14T21:14:22Z |
| format | Article |
| id | sunway-664 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:14:22Z |
| publishDate | 2016 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-6642020-10-07T09:51:32Z http://eprints.sunway.edu.my/664/ 1-Anilino-5-methyl-1H-1,2,3-triazole-4-carbaldehyde Cunha, Anna C. Jordão, Alessandro K. Souza, Maria C. B. V. de Ferreira, Vitor F. Almeida, Maria C. B. de Wardell, James L. Tiekink, Edward R. T. * QD Chemistry The title compound, C10H10N4O, is twisted about the Nring-Namine bond with the dihedral angle between the 1,2,3-triazolyl and N-bound phenyl rings being 79.14 (9)°. The C-bound aldehyde group is coplanar with the triazolyl ring, with the N-C-C-O torsion angle being 3.5 (3)°. While coplanar, the aldehyde O atom is orientated in the opposite direction to the triazolyl-bound methyl group. The most prominent feature of the molecular packing is the formation of zigzag chains (glide symmetry) along the b axis and mediated by amine-N-H...N(triazolyl) hydrogen bonds. The chains are connected into supramolecular layers by phenyl- and methyl-C-H...O(aldehyde) interactions, with phenyl groups projecting to either side. Layers stack along the c axis with no directional interactions between them. International Union of Crystallography 2016 Article PeerReviewed text en cc_by_nc_nd http://eprints.sunway.edu.my/664/1/IUCrData%202016%201%20x160038.pdf Cunha, Anna C. and Jordão, Alessandro K. and Souza, Maria C. B. V. de and Ferreira, Vitor F. and Almeida, Maria C. B. de and Wardell, James L. and Tiekink, Edward R. T. * (2016) 1-Anilino-5-methyl-1H-1,2,3-triazole-4-carbaldehyde. IUCrData, 1 (1). x160038. ISSN 2414-3146 http://dx.doi.org/10.1107/S2414314616000389 doi:10.1107/S2414314616000389 |
| spellingShingle | QD Chemistry Cunha, Anna C. Jordão, Alessandro K. Souza, Maria C. B. V. de Ferreira, Vitor F. Almeida, Maria C. B. de Wardell, James L. Tiekink, Edward R. T. * 1-Anilino-5-methyl-1H-1,2,3-triazole-4-carbaldehyde |
| title | 1-Anilino-5-methyl-1H-1,2,3-triazole-4-carbaldehyde |
| title_full | 1-Anilino-5-methyl-1H-1,2,3-triazole-4-carbaldehyde |
| title_fullStr | 1-Anilino-5-methyl-1H-1,2,3-triazole-4-carbaldehyde |
| title_full_unstemmed | 1-Anilino-5-methyl-1H-1,2,3-triazole-4-carbaldehyde |
| title_short | 1-Anilino-5-methyl-1H-1,2,3-triazole-4-carbaldehyde |
| title_sort | 1-anilino-5-methyl-1h-1,2,3-triazole-4-carbaldehyde |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/664/ http://eprints.sunway.edu.my/664/ http://eprints.sunway.edu.my/664/ http://eprints.sunway.edu.my/664/1/IUCrData%202016%201%20x160038.pdf |