N-sulfonic acid pyridinium -4-carboxylic acid chloride {[Pyridine-N-SO3H-4-COOH]Cl} was synthesized, identified and applied as an effective catalyst for the preparation of pyrido[2,3-d:6,5-d]dipyrimidines by the condensation reaction of various aldehyde with 2-thiobarbituric acid and ammonium acetate under solvent-free conditions.The structure ofcatalyst was studied...

We present ab initio Hartree-Fock lattice calculations on a series of heterocyclic and other compounds. Some of these have previously been studied by cluster calculations with the same D Z basis sets at the SCF level. The electric field gradients at the nitrogen centres, are related to NQR experimental determinations of nuclear quadrupole coupling constants. The compounds studied include imidaz...

Single crystals of the title organic-inorganic hybrid, {(C(5)H(7)N(2))(2)[MnCl(2)(H(2)O)(2)]Cl(2)}(n), were synthesized from an ethanol solution containing manganese(II) chloride tetra-hydrate and 4-amino-pyridine under acidic conditions. The asymmetric unit contains a disordered organic cation (occupancies in the ratio 0.72:0.28), a chloride anion and an MnCl(H(2)O) moiety with the Mn(II) atom...

Reactivation of organophosphate (OP)-inhibited acetylcholinesterase (AChE) by oximes is the primary reason for their effectiveness in the treatment of OP poisoning. Reactivation is reported to accelerate by quaternary ligands such as decamethonium, which is devoid of nucleophilicity. The mechanism of this enhancement is not known. To better understand the acceleration phenomenon, we examined li...

Cetyl Lactate and Myristyl Lactate are the esters of lactic acid and either cetyl or myristyl alcohol. They are used in a wide variety of cosmetic products up to a maximum concentration of 25%. The acute oral LD50 of Cetyl Lactate is estimated from studies with rats to be greater than 20 g/kg. Cetyl Lactate was shown to be minimally irritating to rabbit skin and nonirritating or only slightly i...

Prediction of the nucleation mechanism is one of the most critical factors in the design of a crystallization system. Information about the nucleation mechanism helps to control the size, shape, size distribution, and purity of the produced crystals. When the crystallization method is used for producing nanoparticles, the nucleation mechanism should be predicted. In this study, an empirical cor...

In the title salt, C(6)H(7)N(6) (+)·Cl(-), there are two organic cations with similar conformations and two chloride anions in the asymmetric unit. The pyridine and tetra-zole rings are essentially coplanar in each cation, with dihedral angles of 4.94 (15) and 5.41 (14)°. The pyridine N atoms are protonated. The crystal packing is stabilized by N-H⋯N and N-H⋯Cl hydrogen bonds, forming an infini...

In the cation of the title hydrated salt, C(11)H(9)N(4)O(4) (+)·Cl(-)·H(2)O, the six-membered rings are inclined to each other at 79.0 (1)° and an intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, N-H⋯Cl hydrogen bonds link two cations and two anions into centrosymmetric group, and O-H⋯Cl hydrogen bonds involving the water mol-ecules further link these groups into chains in [101]. An ...