The title compound, C12H14N6O, consists of three pyrazole rings bound via nitro-gen to the distal ethane carbon of meth-oxy ethane. The dihedral angles between the three pyrazole rings are 67.62 (14), 73.74 (14), and 78.92 (12)°. In the crystal, mol-ecules are linked by bifurcated C-H,H⋯N hydrogen bonds, forming double-stranded chains along [001]. The chains are linked via C-H⋯O hydrogen bonds,...

A method is described for rapidly measuring the ethane concentration in exhaled human breath. Ethane is considered a volatile marker for lipid peroxidation. The breath samples are analyzed in real time during single exhalations by means of infrared cavity leak-out spectroscopy. This is an ultrasensitive laser-based method for the analysis of trace gases on the sub-parts per billion level. We de...

Infrared spectra of hydrogenated diamond nanocrystals of one nanometer length are calculated by ab initio methods. Positions of atoms are optimized via density functional theory at the level of the generalized gradient approximation of Perdew, Burke and Ernzerhof (PBE) using 3-21G basis states. The frequencies in the vibrational spectrum are analyzed against reduced masses, force constants and ...

In the title salt, [Ni(C12H14N6O)2](CF3SO3)2·2H2O, the Ni(II) cation is located on an inversion centre and is coordinated by six N atoms from two tridentate 1-meth-oxy-2,2,2-tris-(pyrazol-1-yl)ethane ligands in a distorted octa-hedral geometry. The Ni-N distances range from 2.0594 (12) to 2.0664 (12) Å, intra-ligand N-Ni-N angles range from 84.59 (5) to 86.06 (5)°, and adjacent inter-ligand N-N...

The title compound, [(1-{4-[2-(2,4-di-hydroxy-phen-yl)diazen-1-yl]phen-yl}ethyl-idene)amino]-thio-urea, 1,1,2,2-tetra-chloro-ethane monosolvate, C15H15N5O2S·C2H2Cl4, was prepared from 4-(4-acetyl-phenyl-diazendi-yl)resorcinol and thio-semicarbazide and recrystallized from mixed solvents of tetra-chloro-ethane and n-hexane. 1H NMR and X-ray diffraction data are in support of the thione tautomeri...

In the title coordination polymer, [Cu(3)(C(5)H(7)N(2)O(7)P(2))(2)(H(2)O)(2)](n), one Cu(II) atom is five-coordinated by five O atoms from three 1-hy-droxy-2-(imidazol-3-ium-1-yl)ethane-1,1-diyldiphospho-nate (L) ligands in a distorted square-pyramidal geometry. The other Cu(II) atom, lying on an inversion center, is six-coordinated in a distorted octa-hedral geometry by four O atoms from two L...

compound n2, n3, n7, n8, 1, 4, 5, 6, 9, 10-decaphenyltetradecahydrodipyrazino [2, 3-b: 2, 3-e] pyrazine-2, 3, 7, 8-tetraamine (4) was prepared by condensation of 1, 1′, 2, 2′-tetrakis (phenylamino) ethane (1d) and glyoxal in etoh or i-proh. also, reaction of 1d with glyoxal in equimolare in etoh resulted 5,6-bis (ethoxy)-n2, n3, 1, 4-tetraphenylhexahydro-2, 3-pyrazinediamine (5). the natures of...

The tetrahydrosalens N,N'-bis(2-hydroxybenzyl)-ethane-1,2-diamine ((2)(1)), N,N'-bis(2-hydroxybenzyl)-(-)-1,2-cyclohexane-(1R,2R)-diamine ((2)(2)), N,N'-bis(2-hydroxybenzyl)-N,N'-dimethyl-ethane-1,2-diamine ((2)(3)), N,N'-bis(2-hydroxybenzyl)-N,N'-dibenzyl-ethane-1,2-diamine ((2)(4)), and N,N'-bis(2-(4-tert-butyl)hydroxybenzyl)-ethane-1,2-diamine ((2)(5)), as well as their prodrug glycosylated ...

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Abstract. We present a method for estimating fossil fuel methane emissions using observations of and ethane, accounting uncertainty in their emission ratio. The ethane:methane ratio is incorporated as spatially temporally variable parameter Bayesian model, with its own prior distribution uncertainty. find that an mitigates bias from fixed, potentially incorrect this propagated into posterior es...