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
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Abstract
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.
| Item Type: | Article |
|---|---|
| Additional Information: | First, 3rd, 4th & 5th authors are with Universidade Federal Fluminense, Departamento de Quı´mica Orgaˆnica; 2nd author is with Unidade Universita´ria de Farma´cia, Fundac¸o˜ Centro Universita´rio Estadual da Zona Oeste; 6th author is with cFioCruz-Fundac¸a˜o Oswaldo Cruz, Instituto de Tecnologia em Fa´rmacos- Far-Manguinhos & Department of Chemistry, University of Aberdeen; 7th author is with Centre for Crystalline Materials, Faculty of Science and Technology, Sunway University |
| Uncontrolled Keywords: | crystal structure; 1,2,3-triazolyl; alcohol; hydrogen bonding |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Others > Non Sunway Academics Sunway University > School of Engineering and Technology [formerly School of Science and Technology until 2020] > Research Centre for Crystalline Materials moved to SMLS wef 2021 |
| Depositing User: | Ms. Molly Chuah |
| Related URLs: | |
| Date Deposited: | 02 Nov 2017 03:00 |
| Last Modified: | 07 Oct 2020 09:51 |
| URI: | http://eprints.sunway.edu.my/id/eprint/661 |
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