Crystal structure of 1-methoxy-5-methyl-N-phenyl-1,2,3-triazole-4-carboxamide / Khazhieva I.S., Glukhareva T.V., Slepukhin P.A., Morzherin Y.Y. // Acta Crystallographica Section E: Crystallographic Communications. - 2015. - V. 71, l. . - P. o798.

ISSN:

20569890

Type:

Article

Abstract:

The title compound, C11H12N4O2,was prepared via the transformation of sodium 4-acetyl-1-phenyl-1H-[1.2.3]triazolate under the action of methoxyamine hydrochloride. The dihedral angle between the triazole and phenyl rings is 25.12(16)° and the C atom of the methoxy group deviates from the triazole plane by 0.894(4)Å. The conformation of the CONHR-group is consolodated by an intramolecular N - H⋯N hydrogen bond to an N-atom of the triazole ring, which closes an S(5) ring. In the crystal, weak N - H⋯N hydrogen bonds link the molecules into C(6) [010] chains. © 2015.

Author keywords:

1,2,3-triazole; crystal structure; hydrogen bonding; rearrangements

Index keywords:

нет данных

DOI:

10.1107/S2056989015017776

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https://www.scopus.com/inward/record.uri?eid=2-s2.0-84948663425&doi=10.1107%2fS2056989015017776&partnerID=40&md5=d1bd2f114671f0d5048d68a373521d6c

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Link	https://www.scopus.com/inward/record.uri?eid=2-s2.0-84948663425&doi=10.1107%2fS2056989015017776&partnerID=40&md5=d1bd2f114671f0d5048d68a373521d6c
Affiliations	Ural Federal University, Mira 19, Ekaterinburg, Russian Federation; I. Postovsky Institute of Organic Synthesis, Kovalevskoy 22, Ekaterinburg, Russian Federation
Author Keywords	1,2,3-triazole; crystal structure; hydrogen bonding; rearrangements
Funding Details	13-03-00137, RFBR, Russian Foundation for Basic Research
References	(2014) CrysAlis PRO, , Agilent. Agilent Technologies Ltd, Yarnton, England; Agrawal, Y.K., Pancholi, J.P., (2007) Indian. J. Chem. Sect. A, 46, pp. 1377-1382; Farrugia, L.J., (2012) J. Appl. Cryst., 45, pp. 849-854; Higuchi, Y., Narita, M., Niimi, T., Ogawa, N., Hamada, F., Kumagai, H., Iki, N., Kabuto, C., (2000) Tetrahedron, 56, pp. 4659-4666; Omran, A.O., Antipin, I.S., (2014) J. Incl Phenom. Macrocycl Chem., 78, pp. 121-126; Sheldrick, G.M., (2008) Acta Cryst., A64, pp. 112-122; Sheldrick, G.M., (2015) Acta Cryst., C71, pp. 3-8; Shokova, E.A., Kovalev, V.V., (2003) Russ. J. Org. Chem., 39, pp. 1-28; Spek, A.L., (2009) Acta Cryst., D65, pp. 148-155; Stoikov, I.I., Omran, O.A., Solovieva, S.E., Latypov, S.K., Enikeev, K.M., Gubaidullin, A.T., Antipin, I.S., Konovalov, A.I., (2003) Tetrahedron, 59, pp. 1469-1476
Correspondence Address	Khazhieva, I.S.; Ural Federal University, Mira 19, Russian Federation; email: i.s.khazhieva@urfu.ru
Publisher	International Union of Crystallography
Language of Original Document	English
Abbreviated Source Title	Acta Crystallographica Section E: Crystallographic Communications
Source	Scopus