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http://hdl.handle.net/2289/8701Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Sunithakumari, M | - |
| dc.contributor.author | Gagan, M U | - |
| dc.contributor.author | Dwarakanath, V | - |
| dc.contributor.author | Srinivasa, H T | - |
| dc.contributor.author | Devarajegowda, H C | - |
| dc.contributor.author | Palakshamurthy, B S | - |
| dc.date.accessioned | 2026-04-15T05:04:37Z | - |
| dc.date.available | 2026-04-15T05:04:37Z | - |
| dc.date.issued | 2026-05 | - |
| dc.identifier.citation | Acta Crystallographica E: Crystallographic Communications, 2026, Vol. 82 (5), AR No. E82 | en_US |
| dc.identifier.issn | 2056-9890 | - |
| dc.identifier.uri | http://hdl.handle.net/2289/8701 | - |
| dc.description | Open Access. | en_US |
| dc.description.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. | en_US |
| dc.language.iso | en | en_US |
| dc.publisher | Acta Crystallographica E: Crystallographic Communications | en_US |
| dc.relation.uri | https://doi.org/10.1107/S2056989026003403 | en_US |
| dc.rights | 2026 The Authors | en_US |
| dc.subject | crystal structure | en_US |
| dc.subject | co-crystals | en_US |
| dc.subject | Hirshfeld surface | en_US |
| dc.subject | 2-oxo-2H-chromene | en_US |
| dc.subject | benzyl amine | en_US |
| dc.title | Synthesis, crystal structure and Hirshfeld surface analysis of phenylmethanaminium 2-oxo-2H-chromene-3-carboxylate | en_US |
| dc.type | Article | en_US |
| 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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