Crystal structure of 3-(4-bromophenyl)-5-methyl-1 H -pyrazole, C 10 H 9 BrN 2

C10H9BrN2, orthorhombic, P212121 (no. 19), a = 5.9070(3) Å, b = 9.2731(7) Å, c = 17.5641(14) Å, V = 962.09(12) Å3 , Z = 4, Rgt(F) = 0.0504, wRref(F2 ) = 0.0947, T = 293(2) K

Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid monohydrate, C4H2N3BrO4·H2O

C4H2N3BrO4·H2O, monoclinic, P21/c (no. 14), a = 7.177(2) Å, b = 10.999(3) Å, c = 10.414(3) Å, β = 100.145 (11) °, V = 809.3(4) Å3, Z = 4, Rgt (F) = 0.0379, wRref (F2) = 0.0714, T = 200K © 2023 the author(s), published by De Gruyter, Berlin/Boston

Crystal structure of 4-bromo-2-(1H-pyrazol-3-yl)phenol, C9H7BrN2O (vol 232, pg 507, 2017)

C9H7BrN2O, monoclinic, C2/c (no. 15), a = 16.255(3) angstrom, b = 4.4119(9) angstrom, c = 25.923(5) angstrom, beta = 107.99(3)degrees, V = 1768.2(7) angstrom(3), Z = 8, R-gt(F) = 0.0450, wR(ref)(F-2) = 0.0960, T = 150 K

The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2N,O] copper(II), C18H12Br2CuN4O2

C 18 H 12 Br 2 CuN 4 O 2 , monoclinic, P 2 1 / c (no. 14), a  = 11.5165(11) Å, b  = 5.4369(5) Å, c  = 14.4872(14) Å, V  = 873.52(14) Å 3 , Z  = 2, R gt ( F ) = 0.0232, wR ref ( F 2 ) = 0.0559, T  = 200 K

Crystal structure of ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, C7H7F3N2O2

C7H7F3N2O2, monoclinic, P21/m (no. 11), a = 6.8088(8) Å, b = 6.7699(9) Å, c = 9.9351(12) Å, β = 105.416(3)°, V = 441.48(9) Å 3 , Z = 2, R gt ( F ) = 0.0398, wR ref ( F 2 ) = 0.1192, T = 200(2) K

Crystal structure of dihydrazinium 1H-pyrazole-3,5-dicarboxylate, C5H12N6O4

C 5 H 12 N 6 O 4 , monoclinic, P 2 1 / n (no. 14), a = 4.3368(6) Å, b = 15.483(2) Å, c = 13.8852(19) Å, β = 97.714(3)°, V = 923.9(2) Å 3 , Z = 4, R gt ( F ) = 0.0411, wR ref ( F 2 ) = 0.1109, T = 200(2) K

First cobalt complexes with methyl pyruvate semi/thiosemicarbazone - synthesis, physico-chemical and structural characterization

In the reaction of acetone solutions of CoX2∙nH2O (X = Cl, Br) with methyl pyruvate semi/thiosemicarbazone (Hmps, Hmpt) the first Co(II) complexes with these ligands, i.e., [Co(Hmps)(H2O)X2] (X = Cl (1), Br (2)), [Co(Hmpt)2][CoCl4]∙2H2О (3) and [Co(Hmpt)2]Br2∙Me2CO (4) were obtained. Complexes 1 and 2 represent the first examples of metal complexes of Hmps. All the obtained compounds were characterized by elemental analysis, conductometry, magnetic measurements, and IR spectra, and for complexes 2–4, single crystal X-ray diffraction analysis was also performed. The effective magnetic moments were close to the upper limit (5 μB) for complexes 1 and 2, and close to the lower limit (4.4 μB) for complexes 3 and 4, and as such are characteristic for high-spin Co(II) complexes. Structural analysis showed that both ligands coordinate in a neutral form in a tridentate manner, via the ester oxygen, imine nitrogen and the oxygen atom of the ureido (Hmps), or the sulfur atom of the thioureido group (Hmpt). The central metal atoms are situated in a deformed octahedral coordination environment. Complex 2 has cis-Br configuration, while complexes 3 and 4 have mer-configuration

Functionalization of plasmonic metamaterials utilizing metal-organic framework thin films

We considered theoretically and experimentally a strategy to functionalize plasmonic metamaterials utilizing either a metal-organic framework (MOF) or inorganic-organic hybrids for application in adsorption-based gas sensing. MOFs are one-dimensional (1D), 2D or 3D crystalline compounds that simultaneously contain metal ions or ion clusters and organic moieties, forming thus porous networks ensuring an increased effective surface for adsorption. Metamaterials can enhance plasmonic sensor performance through metal-dielectric nanocompositing that simultaneously tailors the electromagnetic response and boosts adsorption of the targeted analyte through the use of nanopores. To perform functionalization, it is necessary to integrate one or several layers of MOF nanocrystals with the metamaterial scaffold. The simplest approach is to use dip or drop coating or the layer-by-layer technique. The scaffolds that we considered included freestanding, ultrathin membranes and sandwich structures with nanoaperture arrays. For this investigation, we used a non-aqueous sol-gel route to synthesize vanadium oxyanthracene carboxylate, a novel material with 1D crystal structure. Our results suggest that preferential concentration of analyte within the MOF pores may ensure improved adsorption and thus sensor sensitivity enhancement. Also, one may increase selectivity by introducing nanoparticle fillers or by utilizing other functionalizing materials such as catalysts or ligands

Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid monohydrate, C4H2N3BrO4·H2O

C4H2N3BrO4·H2O, monoclinic, P21/c (no. 14), a = 7.177(2) Å, b = 10.999(3) Å, c = 10.414(3) Å, β = 100.145(11)∘$100.145{(11)}^{\circ }$, V = 809.3(4) Å3, Z = 4, Rgt${R}_{\mathrm{g}\mathrm{t}}$(F) = 0.0379, wRref$w{R}_{\mathrm{r}\mathrm{e}\mathrm{f}}$(F2) = 0.0714, T = 200 

Crystal structure of 3-(4-bromophenyl)-5-methyl-1H-pyrazole, C10H9BrN2

C10H9BrN2, orthorhombic, P212121 (no. 19), a = 5.9070(3) Å, b = 9.2731(7) Å, c = 17.5641(14) Å, V = 962.09(12) Å3, Z = 4, Rgt(F) = 0.0504, wRref(F2) = 0.0947, T = 293(2) K