What question did this study set out to answer?

The study aims to determine the crystal structure of 3-(1H-1,2,4-triazol-1-yl)benzoic acid.

July 26, 2026Zeitschrift für Kristallographie - New Crystal Structures0 citationsOpen Access

The crystal structure of 3-(1 H -1,2,4-triazol-1-yl)benzoic acid, C 9 H 7 N 3 O 2

CFChao FengBengbu Medical College JGJing-Jing GuoBengbu Medical College HZHui ZhouBengbu Medical College

Key Points

The study aims to determine the crystal structure of 3-(1H-1,2,4-triazol-1-yl)benzoic acid.
X-ray diffraction used to analyze the crystal structure
Monoclinic system was identified with space group Pn
Parameters such as a, b, c, and volume were measured
Unit cell dimensions: a = 5.9919(7) Å, b = 3.7016(4) Å, c = 18.1339(17) Å
Volume of unit cell: V = 402.03(7) Å³
Rgt(F) = 0.059, wRref(F²) = 0.172 indicating good quality of data

Abstract

Abstract C 9 H 7 N 3 O 2 , monoclinic, Pn (no. 7), a = 5.9919(7) Å, b = 3.7016(4) Å, c = 18.1339(17) Å, β = 91.659(9)°, V = 402.03(7) Å 3 , Z = 1, R gt ( F ) = 0.059, w R ref ( F 2 ) = 0.172, T = 293 K.

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