C14H17NO3, monoclinic, P21/n (no. 14), a = 11.1445(7) Å, b = 8.5442(5) Å, c = 14.2503(8) Å, β = 97.5684(11)°, V = 1345.10(14) Å3, Z = 4, Rgt(F) = 0.0668, wRref(F2) = 0.1680, T = 296(2) K.

Given the broad spectrum of uses of acrylonitrile derivatives as fluorescent probes, AChE inhibitors, and others, it is necessary to find easy, efficient and simple methods to synthesize and diversify these compounds. We report the results of a comparative study of the effects of three techniques on the reactions between heterocyclic aldehydes and 2-(benzo[d]thiazol-2-yl)acetonitrile: stirring; ultrasound coupled to PTC conditions (US-PTC); and MW irradiation (MWI) under solvent and catalyst-free conditions. The effects of conditions on reaction parameters were evaluated and compared in terms of reaction time, yield, purity and outcomes. The US-PTC method is more efficient than the MWI and conventional methods. The reaction times were considerably shorter, with high yields (>90%) and good levels of purity. In addition, X-ray diffraction analysis and quantum mechanical calculations, at the level of density functional theory (DFT), ratify obtaining acrylonitrile isomers with E configurations. The crystal structure of 3c is stabilized by weak C-Ho⋯N intermolecular interactions (Ho⋯NC=2.45 Å, Co⋯NC=3.348(3) Å, Ho⋯NC=162°), forming centrosymmetric ring R2(2) (20) along the crystallographic a axis.

We report an unprecedented multicomponent reaction of acetoacetanilide with malononitrile leading to a structurally novel bicyclic product (9) in a high yield. The structure has been confirmed by X-ray crystallography and comparative Hirshfeld surface analysis of 5-cyano-2-hydroxy-2-methyl-N-phenyl-4-(yridine-4-yl)-6-(thiophen-2-yl)-3,4-dihydro-2H-pyran-3-carboxamide 2, 5-cyano-2-hydroxy-2-methyl-6-oxo-N-phenyl-4-(thiophen-2-yl)piperidine-3-carboxamide 4 and 2-(8-amino-7,8a-dicyano-1-imino-4a-methyl-3-oxo-2-phenyl-1,3,4,4a,5,8a-hexahydroisoquinolin-6(2H)-ylidene)-N-phenylacetamide 9.

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In this manuscript, the synthesis and X-ray characterization of a new spodium bond driven coordination polymer constructed from mercury(ii) azide and 1,2-bis(pyridin-2-ylmethylene)hydrazine are reported.

Three new Ag(I) and one Cu(I) coordination compounds with two different positional isomers, propane-1,3-diyl bis(pyridine-4-carboxylate) (L1) and propane-1,3-diyl bis(pyridine-3-carboxylate) (L2), of a bis-(pyridyl-carboxylate) ligand have been synthesized. X-ray diffraction analysis revealed that the self-assembly of L1 with AgCF 3 SO 3 and AgClO 4 salts leads to the formation of discrete binuclear metallocycles {Ag(L1)CF 3 SO 3 } 2 (1) and {Ag(L1)ClO 4 } 2 (2), respectively. However, self-assembly of the other ligand, L2, with AgCF 3 SO 3 and CuCl salts, results in a 1-D zig-zag chain {Ag(L2)CF 3 SO 3 } 8 (3) and a 1-D double-stranded helical chain {Cu 2 Cl 2 (L2) 2 } 8 (4) coordination polymers, respectively. Solid emission spectra recorded at room temperature show interesting luminescence properties for all four compounds in the range from 438 to 550 nm, especially for compound 4 that was found to change its emission color when the wavelength of the excitation radiation is switched from 332 to 436 nm.

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The structure of the title compound, C14H10N8S2, comprises two 1‐phenyl‐1H‐tetrazole‐5‐thiolate units linked by an S—S disulfide bridge. The C—S—S—C torsion angle is 81.9 (1)°. C—H...N hydrogen bonding, with C...N = 3.413 (4) Å and C—H...N = 147°, link the molecules into supramolecular chains in the crystal structure.