21294-14-4Relevant academic research and scientific papers
Synthesis, characterization, and computational survey of a novel material template o-xylylenediamine
Issaoui, Noureddine,Marouani, Houda,Roisnel, Thierry,Tahenti, Meriam
, (2021/09/18)
A new salt Bis(o-xylylenediammonium) tetrachloride monohydrate, denoted by OXDACl, produces a novel organic–inorganic compound with centrosymmetric property, prepared by slow evaporation technique in an aqueous solution. This one has been assumed a pattern in the orthorhombic Pnma space group, and the following crystallographic parameters obtained are a = 9.0677(9) ?, b = 24.282 (2) ?, c = 9.4726 (8) ?, V = 2085.7 (3)?3 and Z = 4, at 150?K. It is investigated by X-ray diffraction, fluorescence, infrared, and UV–visible spectroscopy. The crystal wrap is endorsed by the O–H···Cl, N–H···Cl hydrogen bond interactions among the organic network and the inorganic one, which stabilize the crystal packing. Besides to get a perception into the attitude of these interconnections, Hirshfeld surfaces analysis have been scrutinized. Computational calculations were performed, employing density functional theory (DFT), and were made by comparison with the experimentally determined structure to examine the molecular structure with geometrical optimization, vibrational, and topological parameters of OXDACl by B3LYP/6–311 + + G(d,p) basis.
Synthesis and Crystal Structure of a Novel Glycoluril Molecular Scaffold
Wang, Zhi-guo,Yu, Wei,Zheng, He-qi,Wang, Zhi-gang
, p. 208 - 212 (2016/05/02)
Abstract: A novel glycoluril scaffold 1, namely 1,6-(1,2-xylylene)-3,4-(1,3-dimetheneyl-hexahydropyrimidine)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione, was synthesized by the Mannich reaction of 1,6-(1,2-xylylene)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione 5 with propanediamine and paraformaldehyde. The yielded product 1 was confirmed with IR, NMR, EI-MS. X-ray crystallographic technique was also conducted and the result showed the crystal belongs to monoclinic system, space group P21/c with unit cell parameters a?=?10.6892(11)??, b?=?12.1226(9)??, c?=?13.7822(13)??, α?=?90°, β?=?112.620(4)°,γ?=?90°, V?=?1648.5(3)??3, Z?=?4, Dc?=?1.428, Mr?=?354.41, μ?=?0.098?mm?1, F(000)?=?752, R1?=?0.0522 and wR2?=?0.1138. Graphical Abstract: A novel molecular scaffold, containing a heterocyclic ring instead of an aromatic ring, was synthesized by the Mannich reaction based on glycoluril.[Figure not available: see fulltext.]
Synthesis of new C2-symmetrical bis(hydroxycamphorsulfonamide) ligands and their application in the enantioselective addition of dialkylzinc reagents to aldehydes and ketones
Yus, Miguel,Ramon, Diego J.,Prieto, Oscar
, p. 1103 - 1114 (2007/10/03)
The preparation of several C2-symmetric disulfonamides derived from chiral camphorsulfonyl chloride and different diamines (with or without stereogenic elements) is described. Their use in the titanium tetraisopropoxide-promoted enantioselective addition of dialkylzinc reagents to aldehydes has been tested, the best enantiomeric excess being up to 76%. Moreover, the unusual addition of dialkylzinc reagents to ketones can also be achieved with excellent enantioselectivity (up to 92% e.e.) using this type of ligand. When using para-substituted phenones as electrophiles, the enantiomeric excess of the resulting tert-alcohol is independent of the electronic properties of the group attached to the aromatic ring of the phenone. In the case of using more hindered ketones the enantioselectivity is lower, so indicating a steric influence in the reaction.
