The title compound, CHFNO, crystallizes with one mol-ecule in the asymmetric unit. The mean planes of the two phenyl rings of the Schiff base moiety, bearing the OH groups and the imine group, respectively, are inclined to each other by 4.91 (1)°. In the crystal, mol-ecules are linked pairs of bifurcated O-H⋯O hydrogen bonds between the phenol OH groups, forming inversion dimers with an (5) ring motif. The structure exhibits also intra-molecular O-H⋯N and C-H⋯F hydrogen-bonding inter-actions. Hirshfeld surfaces analysis and two-dimensional fingerprint plots were applied to qu-antify the inter-molecular inter-actions. The three F atoms of the tri-fluoro-methyl group are disordered over two sets of sites, with occupancy factors of 0.578 (8) and 0.422 (8). The crystal studied was refined as an inversion twin.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6509687 | PMC |
| http://dx.doi.org/10.1107/S2056989019003220 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
The structure determination confirms the stereochemistry of the title compound, C(12)H(17)NO(3), which contains a four-membered azetidine ring system. The absolute configuration was determined by the use of d-glucose as the starting material. In the crystal, O-H⋯O and O-H⋯N hydrogen bonds link the mol-ecules into layers in the ab plane.
View Article and Find Full Text PDF[2-({3-[(3-Amino-prop-yl)amino]-prop-yl}imino-meth-yl)phenolato-κO,N,N'',N''']bromidocopper(II).
Acta Crystallogr Sect E Struct Rep Online
October 2010
Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.
In the title compound, [Cu(C(13)H(20)N(3)O)Br], the Cu(II) atom is coordinated by three N atoms and one O atom from the deprotonated ligand derived from the Schiff base condensation of 3,3-imino-bis-(propyl-amine) and salicyl-aldehyde. The three N and the O atoms occupy equatorial positions, while the Br atom occupies an axial position. The amine H atoms form inter-molecular hydrogen bonds with the Br and O atoms of adjoining mol-ecules.
View Article and Find Full Text PDFThe effect of long-range circumannular non-bonding orbital interaction on the inversion of groups on nitrogen in 2,2,4,4-tetramethyl-3-imino-1-cyclobutanones.
Org Lett
April 2002
Department of Chemistry, Rochester Institute of Technology, 85 Lomb Memorial Drive, Rochester, New York 14623, USA.
[structure: see text] The free energy of activation, deltaG*, for nitrogen inversion was calculated from the coalescence temperature for the methyl signals obtained via variable temperature NMR for a series of imino derivatives of the title compounds. There was a direct correlation between the long-range nonbonding circumannular orbital interactions between the heteroatoms in the 1,3-positions and the deltaG* for inversion of groups on nitrogen. Values of deltaG* range from 26 kcal/mol on systems with maximum interaction in the transition state (I and II) to 17 kcal/mole on those systems with minimal interaction (III and IV).
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!