Journal ArticleDOI
Intermolecular interactions of proton transfer compounds: synthesis, crystal structure and Hirshfeld surface analysis
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TLDR
Three new proton transfer compounds, synthesized, their IR modes of vibrations have been assigned and their crystal structures studied by means of single-crystal X-ray diffraction revealed that the three structures are dominated by H...O/O...H and H...H contacts.Abstract:
Three new proton transfer compounds, [2-ammonio-5-methylcarboxybenzene perchlorate (1), (C8H10NO2+·ClO4−), 4-(ammoniomethyl)carboxybenzene nitrate (2), (C8H10NO2+·NO3−), and 4-(ammoniomethyl)carboxybenzene perchlorate (3), (C8H10NO2+·ClO4−)], have been synthesized, their IR modes of vibrations have been assigned and their crystal structures studied by means of single-crystal X-ray diffraction. Their asymmetric units consist of one cation and one anion for both compounds (1) and (2). However, the crystal structure of compound (3) is based on a pair of cations and a pair of anions in its asymmetric unit. The three-dimensional Hirshfeld surface analysis and the two-dimensional fingerprint maps revealed that the three structures are dominated by H⋯O/O⋯H and H⋯H contacts. The strongest hydrogen-bonding interactions are associated with O—H⋯O and N—H⋯O constituting the highest fraction of approximately 50%, followed by those of the H⋯H type contributing 20%. Other close contacts are also present, including weak C⋯H/H⋯C contacts (with about 10%).read more
Citations
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Single-crystal and molecular structures of six hydrogen-bonding 3D supramolecular salts from 2-aminobenzoic acid, 3-aminobenzoic acid, 4-aminobenzoic acid, and acidic components
TL;DR: In this paper, the structure of the 2-aminobenzoic acid/3-aminoic acid with deprotonated groups was characterized by IR, EA, and XRD analysis.
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XRD, FT-IR, FT-Raman spectra and ab initio HF vibrational analysis of bis (5-amino-3-carboxy-1H-1,2,4-triazol-4-ium) selenate dihydrate
TL;DR: The selenic hydrogen bonded salt Bis(5-amino-3-carboxy-1H-1,2,4-triazol-4-ium) selenate dihydrate (BACTSe) has been synthesized and characterized by XRD, FT-IR and FT-Raman techniques.
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Structural, spectroscopic and thermal characterizations combined with DFT calculations and Hirshfeld analysis of a novel hydrogen-bonded complex: p-phenylenediammonium dinitrate
TL;DR: In this paper, the p-phenylenediammonium dinitrate (PPDN) has been synthesized and its structure characterized by FT-IR, Raman and single crystal XRD techniques.
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Crystal structure of bis(2-aminoanilinium) hydrogen phosphate
TL;DR: In the title compound, the hydrogen phosphate anions are linked by O—H⋯O hydrogen bonds into chains parallel to [100], forming a two-dimensional supramolecular network extending parallel to (001).
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Structure cristalline et analyses thermique et de surface Hirshfeld du diperchlorate de 4-azaniumyl-2,2,6,6-tétraméthylpipéridin-1-ium
TL;DR: A new organic perchlorate (C9H22N2)[ClO4]2 was synthesized by slow evaporation at room temperature and its crystal structure was determined and its characterized by TGA–DSC and Hirshfeld surface analysis.
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