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Methyl 1-methyl-1H-1,2,3-triazole-4-carboxylate

Khan, Nawaz F and Prabakaran, K and Roopan, Mohana S and Hathwar, Venkatesha R and Akkurt, Mehmet (2010) Methyl 1-methyl-1H-1,2,3-triazole-4-carboxylate. In: Acta Crystallographica Section E, 66 (Part 6). O1468-U1915.

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Official URL: http://scripts.iucr.org/cgi-bin/paper?xu2764


The title molecule, C5H7N3O2, has an almost planar conformation, with a maximum deviation of 0.043 (3) angstrom, except for the methyl H atoms. In the crystal structure, intermolecular C-H center dot center dot center dot O hydrogen bonds link the molecules into layers parallel to the bc plane. Intermolecular pi-pi stacking interactions [centroid-centroid distances = 3.685 (2) and 3.697 (2) angstrom] are observed between the parallel triazole rings.

Item Type: Journal Article
Publication: Acta Crystallographica Section E
Publisher: International Union of Crystallography
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 23 Jun 2010 04:33
Last Modified: 19 Sep 2010 06:09
URI: http://eprints.iisc.ac.in/id/eprint/28568

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