Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol
The title compound, C16H17NO, is a Schiff base that exists in the enol–imine tautomeric form and adopts a Z configuration. The molecule is non-planar, with the twisted rings making a dihedral angle of 39.92 (4)°. The intramolecular O—H...N hydrogen bond forms an S(6) ring motif. In the crystal, mole...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2021-11-01
|
| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989021010215 |
| _version_ | 1818908417987706880 |
|---|---|
| author | Sevgi Kansiz Adem Gul Necmi Dege Erbil Agar Eiad Saif |
| author_facet | Sevgi Kansiz Adem Gul Necmi Dege Erbil Agar Eiad Saif |
| author_sort | Sevgi Kansiz |
| collection | DOAJ |
| description | The title compound, C16H17NO, is a Schiff base that exists in the enol–imine tautomeric form and adopts a Z configuration. The molecule is non-planar, with the twisted rings making a dihedral angle of 39.92 (4)°. The intramolecular O—H...N hydrogen bond forms an S(6) ring motif. In the crystal, molecules are linked by C—H...π interactions and very weak π-π stacking interactions also help to consolidate the crystal packing. A Hirshfeld surface analysis was performed to investigate the contributions of different intermolecular contacts within the supramolecular structure. The major contributions are from H...H (65%), C...H (19.2%) and O...H (6.6%) interactions. |
| first_indexed | 2024-12-19T22:10:42Z |
| format | Article |
| id | doaj.art-651146dc56c749f19a0c6aab87665db6 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-19T22:10:42Z |
| publishDate | 2021-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-651146dc56c749f19a0c6aab87665db62022-12-21T20:03:55ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902021-11-0177111087109010.1107/S2056989021010215yk2157Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenolSevgi Kansiz0Adem Gul1Necmi Dege2Erbil Agar3Eiad Saif4Samsun University, Faculty of Engineering, Department of Fundamental Sciences, 55420, Samsun, TurkeyAkay Pharma Medicine and Health Products Industries & Trade, 34000, Istanbul, TurkeyOndokuz Mayıs University, Faculty of Arts and Sciences, Department of Physics, 55139, Samsun, TurkeyOndokuz Mayıs University, Faculty of Arts and Sciences, Department of Chemistry, 55139, Samsun, TurkeyDepartment of Computer and Electronic Engineering Technology, Sanaa Community College, Sanaa, YemenThe title compound, C16H17NO, is a Schiff base that exists in the enol–imine tautomeric form and adopts a Z configuration. The molecule is non-planar, with the twisted rings making a dihedral angle of 39.92 (4)°. The intramolecular O—H...N hydrogen bond forms an S(6) ring motif. In the crystal, molecules are linked by C—H...π interactions and very weak π-π stacking interactions also help to consolidate the crystal packing. A Hirshfeld surface analysis was performed to investigate the contributions of different intermolecular contacts within the supramolecular structure. The major contributions are from H...H (65%), C...H (19.2%) and O...H (6.6%) interactions.http://scripts.iucr.org/cgi-bin/paper?S2056989021010215crystal structureschiff baseenol–imine tautomerc—h...π interactionshirshfeld surface analysis |
| spellingShingle | Sevgi Kansiz Adem Gul Necmi Dege Erbil Agar Eiad Saif Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol Acta Crystallographica Section E: Crystallographic Communications crystal structure schiff base enol–imine tautomer c—h...π interactions hirshfeld surface analysis |
| title | Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol |
| title_full | Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol |
| title_short | Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol |
| title_sort | crystal structure and hirshfeld surface analysis of z 2 2 4 dimethylphenyl imino methyl 4 methylphenol |
| topic | crystal structure schiff base enol–imine tautomer c—h...π interactions hirshfeld surface analysis |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989021010215 |
| work_keys_str_mv | AT sevgikansiz crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol AT ademgul crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol AT necmidege crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol AT erbilagar crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol AT eiadsaif crystalstructureandhirshfeldsurfaceanalysisofz224dimethylphenyliminomethyl4methylphenol |