Search results for "Benzene"
showing 10 items of 1701 documents
On Kekulé’s insight
2012
3,4,5-Trimethoxy-4'-methylbiphenyl
2013
In the title compound, C16H18O3, the dihedral angle between the benzene rings is 33.4 (2)°. In the crystal, molecules are packed in a zigzag arrangement along the b-axis and are interconnected via weak C—H⋯O hydrogen bonds, and C—H⋯π interactions involving the methoxy groups and the benzene rings of neighbouring molecules.
Methyl 3',5'-dimethoxybiphenyl-4-carboxylate
2013
In the title compound, C16H16O4, the dihedral angle between the benzene rings is 28.9 (2)°. In the crystal, molecules are packed in layers parallel to the b axis in which they are connected via weak intermolecular C-H...O contacts. Face-to-face π-π interactions also exist between the benzene rings of adjacent molecules, with centroid-centroid and plane-to-plane shift distances of 3.8597 (14) and 1.843 (2) Å, respectively.
Methyl 3',4',5'-trimethoxybiphenyl-4-carboxylate
2013
In the title compound, C17H18O5, the dihedral angle between the benzene rings is 31.23 (16)°. In the crystal, the molecules are packed in an antiparallel fashion in layers along the a axis. In each layer, very weak C-H...O hydrogen bonds occur between the methoxy and methyl ester groups. Weak C-H...[pi] interactions between the 4'- and 5'-methoxy groups and neighbouring benzene rings [methoxy-C-ring centroid distances = 4.075 and 3.486 Å, respectively] connect the layers.
Fate of organic pollutants after sewage sludge spreading on agricultural soils: a 30-years field-scale recording
2006
Le DOI mentionné dans l'article 10.2166/WPT.2007.008 ne fonctionne pas; International audience; Toxic organic compounds, such as the surfactants linear alkylbenzene sulfonates (LAS) and nonylphenol polyethoxylates (NPE), Polycyclic aromatic hydrocarbons (PAH) and residues derived from plastics (PAE-phthalates) end up in sewage sludge. In order to evaluate and quantify the potential environmental risks associated with the xenobiotic introduction into biological life cycle, the EU BIOWASTE project (QLK5-CT-2002-01138) devotes one task to the study of the fate of xenobiotic in a sandy soil after sludge spreading on a 30-year field-scale record experiment. Experimental maize crop fields from Bo…
Combined Use of Structure Analysis, Studies of Molecular Association in Solution, and Molecular Modelling to Understand the Different Propensities of…
2021
The arrangement of hydroxyl groups in the benzene ring has a significant effect on the propensity of dihydroxybenzoic acids (diOHBAs) to form different solid phases when crystallized from solution. All six diOHBAs were categorized into distinctive groups according to the solid phases obtained when crystallized from selected solvents. A combined study using crystal structure and molecule electrostatic potential surface analysis, as well as an exploration of molecular association in solution using spectroscopic methods and molecular dynamics simulations were used to determine the possible mechanism of how the location of the phenolic hydroxyl groups affect the diversity of solid phases formed…
Classical and reverse substituent effects in meta- and para-substituted nitrobenzene derivatives
2017
Electron-accepting properties of the nitro group were studied in a series of meta- and para-X-substituted nitrobenzene derivatives (X = NMe2, NH2, OH, OMe, CH3, H, F, Cl, CF3, CN, CHO, COMe, CONH2, COOH, COCl, NO2, NO). For this purpose Hammett-like approaches were applied based on quantum chemistry modeling; the B3LYP/6-311++ G(d,p) method was used. The substituent effect (SE) was characterized by the mutually interrelated descriptors: the charge of the substituent active region, cSAR(X), and substituent effect stabilization energy, SESE, as well as substituent constants, σ. Classical SE is realized by dependences of the structural parameters of the nitro group (ONO angle and NO bond lengt…
CCDC 947463: Experimental Crystal Structure Determination
2013
Related Article: Anssi Peuronen, Esa Lehtimäki, and Manu Lahtinen|2013|Cryst.Growth Des.|13|4615|doi:10.1021/cg401246n
CCDC 953879: Experimental Crystal Structure Determination
2013
Related Article: Huayan Yang, Yu Wang, Huaqi Huang, Lars Gell, Lauri Lehtovaara, Sami Malola, Hannu Hakkinen, Nanfeng Zheng|2013|Nat.Commun.|4|2422|doi:10.1038/ncomms3422
CCDC 953883: Experimental Crystal Structure Determination
2013
Related Article: Huayan Yang, Yu Wang, Huaqi Huang, Lars Gell, Lauri Lehtovaara, Sami Malola, Hannu Hakkinen, Nanfeng Zheng|2013|Nat.Commun.|4|2422|doi:10.1038/ncomms3422