Bis(p-nitrophenyl) carbonate–benzene (3/1)

Abstract

Key indicatorsSingle-crystal X-ray study T = 133 K Mean '(C±C) = 0.002 A Ê R factor = 0.034 wR factor = 0.079 Data-to-parameter ratio = 13.5For details of how these key indicators were automatically derived from the article, see

Electronic and structural effects on the nonlinear optical behavior in π‐conjugated structure bis(4‐nitrophenyl) carbonate: a vibrational spectroscopic approach

“…The internal bond angles at the carbon atom to which the nitro groups are attached considerably exceed the normal 120 • , which is due to the steric effects between the groups. The aryl-O bonds (1.392 Å) are shorter than experimental values, [6] which indicates that the oxygen lone pair is providing a stability contribution by overlapping with the π-orbitals of the phenyl ring. The relatively short C 3 · · ·O 16 and C 19 · · ·O 16 distances, which are identical and equal to 2.885 Å, suggest that the molecule is stabilized by weak C-H· · ·O intramolecular hydrogen bonding.…”

“…2. The optimized geometrical parameters are given in Table 1 along wileyonlinelibrary.com/journal/jrs [6] The dihedral angles C 2 -C 1 -N 7 -O 9 , C 6 -C 1 -N 7 -O 8 , C 20 -C 21 -N 24 -O 26 and C 22 -C 21 -N 24 -O 25 are ∼180.0 • , indicating that both nitro groups are coplanar with the phenyl rings. The internal bond angles at the carbon atom to which the nitro groups are attached considerably exceed the normal 120 • , which is due to the steric effects between the groups.…”

“…[4] Zyss et al [5] reported the NLO properties of N-(4-nitrophenyl)-L-prolinol. The crystal structure of bis(p-nitrophenyl) carbonate-benzene (3/1) molecule has been reported by Simon et al [6] In recent years, much work on substituted diphenyls has been done using vibrational spectroscopy in order to find structure-property correlations. [7 -10] Density functional theory (DFT) is a cost-effective ab initio quantum chemistry procedure for studying physical properties of the molecules.…”

A second polymorph of bis(o-nitrophenyl) carbonate

“…The structure of the corresponding para derivative is described in the following paper (Simon et al, 2003).…”

A História Universal E a Providência Divina Nas Visões De Flávio Josefo E Eusébio De Cesareia

“…A questão estava bem próxima do padrão pecado-punição-perdão presentes na história dos hebreus.Como já vimos as quatro seitas judaicas eram: os fariseus, os saduceus, os zelotes, e os essênios. Estas 'eram demostrações das várias interpretações de um povo que, há muito tempo não tinha uma autoridade que pudesse impor a todos em geral, apenas um ponto de vista' 41. Característica interpretada por Josefo como sinal de desaprovação de Deus, diante de seus erros.A ênfase na conduta e o monoteísmo, segundo Simon e Benoit 42 , eram fundamentais para os hebreus.…”