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

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Official URL: http://dx.doi.org/10.1107/S2414314616000389


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.

Item Type: Article
Additional Information: First, 3rd, 4th and 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 FioCruz-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-triazole; aldehyde; 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 03:40
Last Modified: 07 Oct 2020 09:51
URI: http://eprints.sunway.edu.my/id/eprint/664

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