{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Ashfaq M"],"funding":["King Khalid University"],"pagination":["22357-22366"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC8412916"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["6(34)"],"pubmed_abstract":["A novel Schiff base compound named as phenylmethanaminium (<i>E</i>)-4-((benzylimino)methyl)benzoate C<sub>7</sub>H<sub>10</sub>N<sup>+</sup>. C<sub>15</sub>H<sub>12</sub>NO<sub>2</sub> <sup>-</sup> (<b>A</b>) is synthesized by the chemical reaction of benzylamine and 4-carboxybenzaldehyde in ethanol, and the structure of the titled compound is verified using the single-crystal X-ray diffraction technique. Structural investigation inferred that the crystal packing is mainly stabilized by N-H···O and comparatively weak C-H···O bonding between the cation and anion and further stabilized by weak C-H···π and C-O···π interactions. Hirshfeld surface analysis is employed to explore the noncovalent interactions that are responsible for crystal packing quantitatively. Furthermore, we have used stat"],"journal":["ACS omega"],"pubmed_title":["Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Computational Study of a Novel Organic Salt Obtained from Benzylamine and an Acidic Component."],"pmcid":["PMC8412916"],"funding_grant_id":["R.G.P.2/128/42"],"pubmed_authors":["Arshad MU","Ashfaq M","Yaman M","Alarfaji SS","Kargar H","Dege N","Muhammad S","Munawar KS","Tahir MN"],"additional_accession":[]},"is_claimable":false,"name":"Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Computational Study of a Novel Organic Salt Obtained from Benzylamine and an Acidic Component.","description":"A novel Schiff base compound named as phenylmethanaminium (<i>E</i>)-4-((benzylimino)methyl)benzoate C<sub>7</sub>H<sub>10</sub>N<sup>+</sup>. C<sub>15</sub>H<sub>12</sub>NO<sub>2</sub> <sup>-</sup> (<b>A</b>) is synthesized by the chemical reaction of benzylamine and 4-carboxybenzaldehyde in ethanol, and the structure of the titled compound is verified using the single-crystal X-ray diffraction technique. Structural investigation inferred that the crystal packing is mainly stabilized by N-H···O and comparatively weak C-H···O bonding between the cation and anion and further stabilized by weak C-H···π and C-O···π interactions. Hirshfeld surface analysis is employed to explore the noncovalent interactions that are responsible for crystal packing quantitatively. Furthermore, we have used stat","dates":{"release":"2021-01-01T00:00:00Z","publication":"2021 Aug","modification":"2026-05-09T11:35:31.682Z","creation":"2022-02-11T10:46:53.887Z"},"accession":"S-EPMC8412916","cross_references":{"pubmed":["34497924"],"doi":["10.1021/acsomega.1c03078"]}}