Work

Crystal structure and Hirshfeld surface analysis of 5-(3-nitro-1 H -pyrazol-4-yl)-1 H -tetrazole

Year: 2025

Type: article

Abstract: the Huisgen reaction. The asymmetric unit contains two mol-ecules, each displaying notable torsion between the pyrazole and tetra-zole systems. N-H⋯N hydrogen bonds and π-stacking inter-actions create a double-wide mol-ecular chain, while further N-H⋯N and weaker C-H⋯N inter-actions stitch these chains into a supra-molecular hydrogen-bonded framework. From a Hirshfeld surface analysis, the closest contacts between mol-ecules are through the N-H⋯N inter-actions between the tetra-zole and pyrazole rings with N⋯H/H⋯N making up the largest contributing contacts in the fingerprint plot.

Source: Acta Crystallographica Section E Crystallographic Communications

DOI: 10.1107/s2056989025007224

Authors: Shannon E. Creegan, James A. Ridenour, Patrick A. Caruana, Ian D. Giles, Andrew T. Kerr

Institutions: United States Naval Research Laboratory, Naval Research Laboratory Center for Bio/Molecular Science and Engineering, Naval Research Laboratory Chemistry Division

Language: English

Topic: Crystal structures of chemical compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $500

Funders: Office of Naval Research, U.S. Naval Research Laboratory