[1-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol
In the title compound, C10H10Cl2N4O, the hydroxy group and benzene ring are disposed to opposite sides of the central 1,2,3-triazolyl ring. The dihedral angle between the five- and six-membered rings is 87.51 (12)°, and the C-O bond of the hydroxy group lies almost normal to the plane of the 5-mem...
| Main Authors: | , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2016
|
| Subjects: | |
| Online Access: | http://eprints.sunway.edu.my/661/ http://eprints.sunway.edu.my/661/1/IUCrData%202016%201%20x152447.pdf |
| _version_ | 1848801872101507072 |
|---|---|
| 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 | In the title compound, C10H10Cl2N4O, the hydroxy group and benzene ring are disposed to opposite sides of the central 1,2,3-triazolyl ring. The dihedral angle between the five- and six-membered rings is 87.51 (12)°, and the C-O bond of the hydroxy group lies almost normal to the plane of the 5-membered ring [N-C-C-O = -93.2 (2)°]. An intramolecular amino-N-H...Cl hydrogen bond is noted. In the extended structure, supramolecular layers in the ab plane are formed via hydroxy-O-H...N(ring) and amine-N-H...O(hydroxy) hydrogen bonds. The layers are connected along the c axis by [pi]-[pi] contacts between benzene rings [inter-centroid distance = 3.7789 (13) Å] and by C-Cl...[pi] interactions. |
| first_indexed | 2025-11-14T21:14:21Z |
| format | Article |
| id | sunway-661 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:14:21Z |
| publishDate | 2016 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-6612020-10-07T09:51:02Z http://eprints.sunway.edu.my/661/ [1-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol 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 In the title compound, C10H10Cl2N4O, the hydroxy group and benzene ring are disposed to opposite sides of the central 1,2,3-triazolyl ring. The dihedral angle between the five- and six-membered rings is 87.51 (12)°, and the C-O bond of the hydroxy group lies almost normal to the plane of the 5-membered ring [N-C-C-O = -93.2 (2)°]. An intramolecular amino-N-H...Cl hydrogen bond is noted. In the extended structure, supramolecular layers in the ab plane are formed via hydroxy-O-H...N(ring) and amine-N-H...O(hydroxy) hydrogen bonds. The layers are connected along the c axis by [pi]-[pi] contacts between benzene rings [inter-centroid distance = 3.7789 (13) Å] and by C-Cl...[pi] interactions. International Union of Crystallography 2016 Article PeerReviewed text en cc_by_nc_nd http://eprints.sunway.edu.my/661/1/IUCrData%202016%201%20x152447.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-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol. IUCrData, 1 (1). x152447. ISSN 2414-3146 http://dx.doi.org/10.1107/S2414314615024475 doi:10.1107/S2414314615024475 |
| 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-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol |
| title | [1-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol |
| title_full | [1-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol |
| title_fullStr | [1-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol |
| title_full_unstemmed | [1-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol |
| title_short | [1-(2,5-Dichloroanilino)-5-methyl-1H-1,2,3-triazol-4-yl]methanol |
| title_sort | [1-(2,5-dichloroanilino)-5-methyl-1h-1,2,3-triazol-4-yl]methanol |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/661/ http://eprints.sunway.edu.my/661/ http://eprints.sunway.edu.my/661/ http://eprints.sunway.edu.my/661/1/IUCrData%202016%201%20x152447.pdf |