Hydrogen and Halogen Bonds in Triiodoaminobenzoates of Amine Bases

IF 1.1 4区化学 Q4 CHEMISTRY, PHYSICAL

Doklady Physical Chemistry Pub Date : 2025-03-21 DOI:10.1134/S0012501625600184

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

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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.

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胺基三碘氨基苯甲酸盐的氢卤素键

描述了三碘胺苯甲酸（1-3）和三碘胺苯甲酸一水合物(4)三种有机盐类的晶体结构，并用x射线衍射法确定了它们的结构特征。化合物1:C20H19I6N3O6， FW 1158.78；单斜晶系，空间群Сс；单元胞参数：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, ρX = 2.684 g/cm3。化合物2:C16H15I6N3O4， FW 1074.71；单斜系统，空间群P21/c；单元胞参数：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, ρX = 2.798 g/cm3。化合物3:C17H17I3N2O4， FW 694.03；单斜系，空间群I2/a；细胞参数：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, ρX = 2.222 g/cm3。化合物4:C7H6I3NO3， FW 532.83；正交系，空间群Iba2；单元胞参数：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, ρX = 2.885 g/cm3。7-甲基喹啉盐没有卤素键，这是因为扁平分子的堆积特性。对于两种化合物（3和4），通过热分析（在氩气气氛中）确定了它们的热分解特征：在第一阶段（分别为52℃和73℃），发生结晶水的损失；在700℃时，这两种化合物的热分解得到玻碳作为分解产物。

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来源期刊

Doklady Physical Chemistry 化学-物理化学

CiteScore

1.50

自引率

0.00%

发文量

审稿时长

6-12 weeks

期刊介绍： Doklady Physical Chemistry is a monthly journal containing English translations of current Russian research in physical chemistry from the Physical Chemistry sections of the Doklady Akademii Nauk (Proceedings of the Russian Academy of Sciences). The journal publishes the most significant new research in physical chemistry being done in Russia, thus ensuring its scientific priority. Doklady Physical Chemistry presents short preliminary accounts of the application of the state-of-the-art physical chemistry ideas and methods to the study of organic and inorganic compounds and macromolecules; polymeric, inorganic and composite materials as well as corresponding processes. The journal is intended for scientists in all fields of chemistry and in interdisciplinary sciences.