Preparation, Crystallographic Feature, and Hirshfeld Surface Analysis of Two Organic Salts Based on 1,2-diaminobenzene, Trichloroacetic acid and 4-nitro-phthalic Acid

Two salts of 1,2-diaminobenzene (dab) as acceptor with the trichloroacetic acid and 4-nitro-phthalic acid as donor were prepared and featured by the multiple analytical techniques of FTIR, elemental analysis (EA), and single-crystal X-ray diffraction (SCXRD). The structural studies tell that the cation and anion are joined together by the energetic N+-H∙∙∙O- Hbonds due to the transfer of the proton fr om the donor to the acceptor. The salts show well resolved proton transfer bands in the regions wh ere neither the donor nor the acceptor has any IR peaks. Spectrophotomeric and crystallographic studies have ensured the formation of 2:1/1:1 salts. The chief non-covalent interactions were counted via the Hirshfeld surface analysis. Despite variations of the carboxylic acids, there both bore the strong intermolecular N-H···O H-bonds. Apart from the strong classical H-bonds, other supramolecular associates of O-O, Cl-C/Cl-O/Cl-Cl, CH-O, C-π, and π-π are also involved in the spatial stretchings. The anionic C(7) chain was built at 2 by the O-H···O H-bonds. The roles of these non-covalent contacts are made clear. For the combination of the weak contacts, both salts exhibited the 3D views.

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Publication Details

Journal
Журнал структурной химии
Published
2025-01-01
DOI
https://doi.org/10.26902/jsc_id151507
Primary Topic
Crystal structures of chemical compounds
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article
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article

Preparation, Crystallographic Feature, and Hirshfeld Surface Analysis of Two Organic Salts Based on 1,2-diaminobenzene, Trichloroacetic acid and 4-nitro-phthalic Acid

Dechuan Wang, Xiaojuan Ma, Y.-L. Ji, Rui Gao et al.
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Журнал структурной химии
Crystal structures of chemical compounds
article

Preparation, Crystallographic Feature, and Hirshfeld Surface Analysis of Two Organic Salts Based on 1,2-diaminobenzene, Trichloroacetic acid and 4-nitro-phthalic Acid

Dechuan Wang, Xiaojuan Ma, Y.-L. Ji, Rui Gao, Yuanli Cai, Zhuorong Li, Shuhui Jin
article en

Abstract

Two salts of 1,2-diaminobenzene (dab) as acceptor with the trichloroacetic acid and 4-nitro-phthalic acid as donor were prepared and featured by the multiple analytical techniques of FTIR, elemental analysis (EA), and single-crystal X-ray diffraction (SCXRD). The structural studies tell that the cation and anion are joined together by the energetic N+-H∙∙∙O- Hbonds due to the transfer of the proton fr om the donor to the acceptor. The salts show well resolved proton transfer bands in the regions wh ere neither the donor nor the acceptor has any IR peaks. Spectrophotomeric and crystallographic studies have ensured the formation of 2:1/1:1 salts. The chief non-covalent interactions were counted via the Hirshfeld surface analysis. Despite variations of the carboxylic acids, there both bore the strong intermolecular N-H···O H-bonds. Apart from the strong classical H-bonds, other supramolecular associates of O-O, Cl-C/Cl-O/Cl-Cl, CH-O, C-π, and π-π are also involved in the spatial stretchings. The anionic C(7) chain was built at 2 by the O-H···O H-bonds. The roles of these non-covalent contacts are made clear. For the combination of the weak contacts, both salts exhibited the 3D views.

Журнал структурной химииVol. 66(9)
Clean water and sanitation
Openalex Percentile: Top 88%
Crystal structures of chemical compounds
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Preparation, Crystallographic Feature, and Hirshfeld Surface Analysis of Two Organic Salts Based on 1,2-diaminobenzene, Trichloroacetic acid and 4-nitro-phthalic Acid — Dechuan Wang, Xiaojuan Ma, et al. · Журнал структурной химии (2025) | TGRS Research Map | TGRS