Crystal structure and Hirshfeld surface analysis of 7-eth-oxy-5-methyl-2-(pyridin-3-yl)-11,12-di-hydro-5,11-methano-[1,2,4]triazolo[1,5-c ][1,3,5]benzoxadiazo-cine

Acta Crystallographica. Section E, Crystallographic Communications
Ercan AydemirNecmi Dege

Abstract

The title compound, C19H19N5O2, was prepared by the reaction of 3-amino-5-(pyridin-3-yl)-1,2,4-triazole with acetone and 2-hy-droxy-3-eth-oxy-benzaldehyde. It crystallizes from ethanol in a tetra-gonal space group, with one mol-ecule in the asymmetric unit. The 1,2,4-triazole five-membered ring is planar (maximum deviation = 0.0028 Å). The pyridine and phenyl rings are also planar with maximum deviations of 0.0091 and 0.0094 Å, respectively. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into supra-molecular chains propagating along the c-axis direction. Hirshfeld surface analysis and two-dimensional fingerprint plots have been used to analyse the inter-molecular inter-actions present in the crystal.

References

Mar 15, 2001·European Journal of Medicinal Chemistry·C O Kappe
Dec 25, 2007·Acta Crystallographica. Section A, Foundations of Crystallography·George M Sheldrick
Jan 28, 2009·Acta Crystallographica. Section D, Biological Crystallography·Anthony L Spek
Jan 1, 2010·Acta Crystallographica. Section E, Structure Reports Online·Viktor Kettmann, Jan Světlík
Apr 7, 2016·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Colin R GroomSuzanna C Ward
Feb 9, 2018·Acta Crystallographica. Section E, Crystallographic Communications·Mavişe YamanNecmi Dege
Jun 1, 2018·Acta Crystallographica. Section E, Crystallographic Communications·Sevgi KansizNecmi Dege

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Citations

Aug 18, 2018·Acta Crystallographica. Section E, Crystallographic Communications·Pinar SenNecmi Dege
Jul 14, 2018·Acta Crystallographica. Section E, Crystallographic Communications·Pinar SenS Zeki Yildiz
Jun 5, 2019·Acta Crystallographica. Section E, Crystallographic Communications·Mustafa Kemal GumusIgor O Fritsky
Dec 18, 2018·Frontiers in Chemistry·Maryna V MurlykinaValentyn A Chebanov

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Methods Mentioned

BETA
X-ray

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