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- Title
Intermolecular interactions of proton transfer compounds: synthesis, crystal structure and Hirshfeld surface analysis.
- Authors
Direm, Amani; Altomare, Angela; Moliterni, Anna; Benali-Cherif, Nourredine
- 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%).
- Subjects
PROTON transfer reactions; INTERMOLECULAR interactions; CRYSTAL structure; X-ray diffraction; HYDROGEN bonding; SUPRAMOLECULAR chemistry
- Publication
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2015, Vol 71, Issue 4, p427
- ISSN
2052-5192
- Publication type
Article
- DOI
10.1107/S2052520615011300