The title mol-ecule, C(5)H(7)N(3)O(2), has an almost planar conformation, with a maximum deviation of 0.043 (3) Å, except for the methyl H atoms. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to the bc plane. Inter-molecular π-π stacking inter-actions [centroid-centroid distances = 3.685 (2) and 3.697 (2) Å] are observed between the parallel triazole rings.

Nawaz Khan F

Department of Chemistry

School of Advanced Sciences

Vellore Campus

Mohana Roopan S

Prabakaran K

Hathwar V.R

Akkurt M.

Fulltext

Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

&nbsp;

&nbsp;

VIT University

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

Acta Crystallographica Section E Structure Reports Online

The 1,2,3-triazoles are versatile synthetic intermediates of many biologically active compounds, and their N-1 substituted analogues are potential pharmaceutically important derivatives. In this study, an efficient regioselective N-alkylation reaction of methyl-1H-1,2 3-triazole-4-carboxylate 3 with alkyl halides 4 catalyzed by ZnO nanoparticles in the presence of potassium hydroxide as base and DMSO as solvent is reported which leads to methyl N 1-alkylated 1,2,3-triazole-4-carboxylates 5 in good yields. © Springer Science+Business Media B.V. 2011.

Research on Chemical Intermediates

ZnO nanoparticles-mediated regioselective synthesis of methyl-N-alkylated 1,2,3-triazole-4-carboxylates

In the title compound, C5H7N3O 2, all non-H atoms lie in a common plane, with a maximum deviation of 0.061 (2)° for the ester methyl C atom. The structure is stabilized by inter-molecular C - H⋯O hydrogen bonds. © 2009 Prabakaran et al.

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

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

<jats:p>An account is given of the development of the<jats:italic>SHELX</jats:italic>system of computer programs from<jats:italic>SHELX</jats:italic>-76 to the present day. In addition to identifying useful innovations that have come into general use through their implementation in<jats:italic>SHELX</jats:italic>, a critical analysis is presented of the less-successful features, missed opportunities and desirable improvements for future releases of the software. An attempt is made to understand how a program originally designed for photographic intensity data, punched cards and computers over 10000 times slower than an average modern personal computer has managed to survive for so long.<jats:italic>SHELXL</jats:italic>is the most widely used program for small-molecule refinement and<jats:italic>SHELXS</jats:italic>and<jats:italic>SHELXD</jats:italic>are often employed for structure solution despite the availability of objectively superior programs.<jats:italic>SHELXL</jats:italic>also finds a niche for the refinement of macromolecules against high-resolution or twinned data;<jats:italic>SHELXPRO</jats:italic>acts as an interface for macromolecular applications.<jats:italic>SHELXC</jats:italic>,<jats:italic>SHELXD</jats:italic>and<jats:italic>SHELXE</jats:italic>are proving useful for the experimental phasing of macromolecules, especially because they are fast and robust and so are often employed in pipelines for<jats:italic>high-throughput</jats:italic>phasing. This paper could serve as a general literature citation when one or more of the open-source<jats:italic>SHELX</jats:italic>programs (and the Bruker AXS version<jats:italic>SHELXTL</jats:italic>) are employed in the course of a crystal-structure determination.</jats:p>

Journal	Acta Crystallographica Section E Structure Reports Online
Publisher	International Union of Crystallography (IUCr)
ISSN	16005368
Open Access	Yes