The magnitude and orientation of the principal components of the carbonyl carbon chemical shift tensor of a typical aryl aldehyde, 3,4-diben~yloxybenzaldehyde-~~C,~H,, 1, have been determined from the analysis of I3C NMR spectra of static powder samples obtained at 4.7 and 9.4 T. The principal components of the carbon shielding tensor of formaldehyde, 2, have been calculated from the experiment...

The asymmetric unit of the title compound, C(8)H(8)N(2)O(2), comprises two independent mol-ecules in both of which, all non-H atoms lie in a common plane (r.m.s. deviation = 0.014 and 0.017 Å). In the crystal, N-H⋯O hydrogen bonds connect the mol-ecules into zigzag chains running along [10-1]. Weak C-H⋯O inter-actions connect the chains into an infinite network.

In the title compound, C13H10O3, the pyran-one and benzene rings are almost coplanar, making a dihedral angle of 1.9 (1)°. The cyclo-hexenone ring adopts an envelope conformation, with a methyl-ene C atom located at the flap and displaced by 0.639 (3) Å from the mean plane of the other five atoms. In the crystal, pairs of weak C-H⋯π inter-actions occur between inversion-related mol-ecules.

It is suggested from analysis of proton spin-spin coupling constants that the tetrahydropyrazine ring of 5methyltetrahydrofolate in solution is in a half-chair conformation, with the methyl group at N-5 and the methylene group C-9 truns, and with C-6-H in an equatorial position. The chemical shifts and spin-spin coupling constants for the carbon-bound hydrogens of (+)-L-, (-)-L, (+)-L-~-‘H, 7-‘...

heterocycles. Substitution reactions of 1(2H)-isoquinolone derivatives have been reported, however, little attention has been focused on addition reactions. Dyke et al. reported a Diels–Alder (DA) reaction of 2-methyl-1(2H)-isoquinolone derivatives as the diene. To the best of our knowledge, however, there have been no reports of a DA reaction of 1(2H)isoquinolones acting as dienophiles. DA rea...

Abstract To increase the washing efficiency and more completely remove stained impurities, chemical bleaches are introduced into composition of SD (synthetic detergents), most common which peroxide salts - sodium peroxocarbonate (percarbonate) peroxoborate (perborate).The theoretical substantiation process interaction carbonate hydrogen in three-component reciprocal system Na 2 CO 3 -H O by vis...

The crystal structure of the potential active N-[2-(6-Methoxy-2-oxo-2H-chromen-4-yl)-benzofuran-3-yl]-benzamide (C25H17NO5) (I) has been determined from single crystal X-ray diffraction data. The title compound crystallizes in the monoclinic space group P 21/n, with a = 12.0551(11), b = 9.7853(8), c = 16.6517(16) Å, β = 90.092(4) ̊, V = 1964.28(3) Å, Dcalc = 1.391 Mg/m, Z = 4. In the structure, ...

The reaction of cadmium nitrate dihydrate, propane-1,2-diamine and pyridine-2,6-dicarb-oxy-lic acid in a 1:1:2 molar ratio in an aqueous solution resulted in the formation of the title compound, (C(3)H(12)N(2))[Cd(C(7)H(3)NO(4))(2)]·2H(2)O or (p-1,2-daH(2))-[Cd(pydc)(2)]·2H(2)O (where p-1,2-da is propane-1,2-diamine and pydcH(2) is pyridine-2,6-dicarb-oxy-lic acid). The Cd(II) ion is coordinate...

Merocyanine (MC) isomers that are formed after absorption of a UV photon by 1',3'-dihydro-1',3'-3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2',2'-(2H)-indole] were studied. Several, predominantly TTC and TTT, merocyanine isomers are present in toluene solution ("T" and "C" indicate trans and cis conformations of the C-C bonds in the methine bridge). Excitation in the MC visible absorption band (a...