dc.contributor.author | Oezek, Arzu | |
dc.contributor.author | Albayrak, Cigdem | |
dc.contributor.author | Odabaşoğlu, Mustafa | |
dc.contributor.author | Büyükgüngör, Orhan | |
dc.date.accessioned | 2020-06-21T15:06:38Z | |
dc.date.available | 2020-06-21T15:06:38Z | |
dc.date.issued | 2009 | |
dc.identifier.issn | 1074-1542 | |
dc.identifier.issn | 1572-8854 | |
dc.identifier.uri | https://doi.org/10.1007/s10870-008-9483-y | |
dc.identifier.uri | https://hdl.handle.net/20.500.12712/18664 | |
dc.description | YILDIRIM, ARZU OZEK/0000-0002-2185-7009 | en_US |
dc.description | WOS: 000264483900008 | en_US |
dc.description.abstract | The crystal structure of C14H12ClNO2 was determined by X-ray analysis. It crystallizes in the triclinic space group Pc with a = 12.5346(10) angstrom, b = 4.5101(3) angstrom, c = 12.0534(11) angstrom, alpha = 90.008, beta = 113.669(6)degrees, gamma = 90.00 degrees, Z = 2, Dx = 1.393 mg/m(3), mu (MoK alpha) = 0.298 mm(-1). The title compound is photochromic and molecule is non-planar. It adopts a phenol-imine tautomeric form with a strong intramolecular O-H center dot center dot center dot N hydrogen bond and a strong intermolecular C-H center dot center dot center dot O hydrogen bond. Minimum energy conformations AM1 were calculated as a function of the three torsion angles theta 1(C10-C9-N1-C8), theta 2(C9-N1-C8-C1) and theta 3(N1-C8-C1-C6), varied every 10 degrees. As in the X-ray experiment results, molecule has an angle that makes it non-planar between two aromatic rings in AM1 optimized geometry. | en_US |
dc.description.sponsorship | Faculty of Arts and Sciences, Ondokuz Mayis University, TurkeyOndokuz Mayis University; University Research Fund [279] | en_US |
dc.description.sponsorship | The authors wish to acknowledge the Faculty of Arts and Sciences, Ondokuz Mayis University, Turkey, for the use of the STOE IPDS 2 diffractometer (purchased under Grant F. 279 of the University Research Fund). | en_US |
dc.language.iso | eng | en_US |
dc.publisher | Springer/Plenum Publishers | en_US |
dc.relation.isversionof | 10.1007/s10870-008-9483-y | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Crystal structure | en_US |
dc.subject | Schiff base | en_US |
dc.subject | Phenol-imine | en_US |
dc.subject | AM1 | en_US |
dc.subject | Conformational analysis | en_US |
dc.title | Crystallographic and Conformational Analysis of [(E)-2-[(3-Chlorophenylimino)methy])-4-methoxyphenol] | en_US |
dc.type | article | en_US |
dc.contributor.department | OMÜ | en_US |
dc.identifier.volume | 39 | en_US |
dc.identifier.issue | 5 | en_US |
dc.identifier.startpage | 353 | en_US |
dc.identifier.endpage | 357 | en_US |
dc.relation.journal | Journal of Chemical Crystallography | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |