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

IUCrData 2016 1 x152447.pdf - Published Version
Available under License Creative Commons Attribution Non-commercial No Derivatives.

Download (505kB) | Preview
Official URL: http://dx.doi.org/10.1107/S2414314615024475


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

Actions (login required)

View Item View Item