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http://hdl.handle.net/2289/8701| Title: | Synthesis, crystal structure and Hirshfeld surface analysis of phenylmethanaminium 2-oxo-2H-chromene-3-carboxylate |
| Authors: | Sunithakumari, M Gagan, M U Dwarakanath, V Srinivasa, H T Devarajegowda, H C Palakshamurthy, B S |
| Keywords: | crystal structure co-crystals Hirshfeld surface 2-oxo-2H-chromene benzyl amine |
| Issue Date: | May-2026 |
| Publisher: | Acta Crystallographica E: Crystallographic Communications |
| Citation: | Acta Crystallographica E: Crystallographic Communications, 2026, Vol. 82 (5), AR No. E82 |
| Abstract: | The title salt, C7H10N+·C10H4O−, formed between 2-oxo-2H-chromene-3-carboxylic acid and benzylamine crystallizes in the triclinic space group P1. Proton transfer from 2-oxo-2H-chromene-3-carboxylic acid to the NH2 group of benzylamine results in a N—H⋯(O,O) hydrogen bond between cation and the carboxylate group of the anion. The 2-oxo-2H-chromene moiety is almost planar with a dihedral angle between the two fused rings of 1.48 (11)°. The dihedral angle between the rings of the anion and cation is 29.49 (10)°. In the crystal, N—H⋯O hydrogen-bonding interactions generate an R44(12) synthon parallel to the ac plane. The molecules are linked by further C—H⋯π interactions, which consolidate the packing. In addition, π–π stacking interactions are observed with centroid-to-centroid distances of 3.5832 (14) and 3.8167 (15) Å. The two-dimensional fingerprint plots indicates that the most important contributions to the crystal packing are from H⋯H (39.7%), H⋯O/O⋯H (30.6%) and H⋯C/C⋯H (20.9%) contacts. The antibacterial activity, with MIC values of 30 µg ml−1 against S. aureus and 25 µg ml−1 against E. coli. The lower MIC against E. coli suggests that the compound is more effective against Gram-negative bacteria than Gram-positive bacteria. |
| Description: | Open Access. |
| URI: | http://hdl.handle.net/2289/8701 |
| ISSN: | 2056-9890 |
| Alternative Location: | https://doi.org/10.1107/S2056989026003403 |
| Copyright: | 2026 The Authors |
| Appears in Collections: | Research Papers (SCM) |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| 2026_Acta Crystallographica E_Vol 82 (5)_AR No E82.pdf Restricted Access | Open Access | 7.62 MB | Adobe PDF | View/Open Request a copy |
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