Hydrogen and Halogen Bonds in Triiodoaminobenzoates of Amine Bases

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发表日期：

2024年12月1日

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D. A. Zherebtsov,
V. V. Sharutin,
S. A. Nayfert,
R. L. Regel,
K. Rajakumar,
S. A. Adonin,
M. A. Polozov,
D. V. Spiridonova,
A. A. Osipov,
A. I. Lutsenko

摘要

Abstract

The crystal structures of three organic salts of triiodaminobenzoic acid (1–3) and triiodaminobenzoic acid monohydrate (4) are described, the structural features are established by the X-ray diffraction method. Compound 1: C₂₀H₁₉I₆N₃O₆, FW 1158.78; monoclinic crystal system, space group Сс; unit cell parameters: a = 32.0782(10) Å, b = 9.5284(3) Å, c = 9.3745(3) Å; α = 90°, β = 90.0(1)°, γ = 90°; V = 2865.35(16) Å³, Z = 4, ρ_X = 2.684 g/cm³. Compound 2: C₁₆H₁₅I6N₃O₄, FW 1074.71; monoclinic system, space group P2₁/c; unit cell parameters: a = 8.990(5) Å, b = 28.541(11) Å, c = 9.945(5) Å; α = γ = 90°, β = 91.23(2)°; V = 2551(2) Å³, Z = 4, ρ_X = 2.798 g/cm³. Compound 3: C₁₇H₁₇I₃N₂O₄, FW 694.03; monoclinic system, space group I2/a; cell parameters: a = 36.02(2) Å, b = 7.254(5) Å, c = 16.468(9) Å; α = γ = 90°, β = 105.29(2)°; V = 4150(4) Å³, Z = 8, ρ_X = 2.222 g/cm³. Compound 4: C₇H₆I₃NO₃, FW 532.83; orthorhombic system, space group Iba2; unit cell parameters: a = 30.2146(4) Å, b = 13.9830(2) Å, c = 5.80740(10) Å; α = β = γ = 90°; V = 2453.57(6) Å³, Z = 8, ρ_X = 2.885 g/cm³. The 7-methylquinoline salt is devoid of halogen bonds because of the peculiarities of the stacking of flat molecules. For two compounds (3 and 4), the features of their thermolysis are determined by thermal analysis (in an argon atmosphere): at the first stage (52 and 73°C, respectively), the loss of crystallization water occurs; at 700°C thermolysis of both compounds gives glassy carbon as the decomposition product.