Search results for "bond"
showing 10 items of 3527 documents
A Model for Assessing the Magnitude and Distribution of Sheath Currents in Medium and High-Voltage Cable Lines
2020
In this article, the authors discuss a simulation model to study the effect of cross-bonding of metallic sheaths, and/or nonmagnetic armors, of single-core medium- and high-voltage cables in the same circuit. In single-core cables, the resistive losses due to the induced circulating currents in cable sheaths or armors cause an increase of the cable temperature, which therefore reduces its ampacity. This is a serious issue affecting the distribution and transmission lines. In addition, the risk of electric shock due to induced voltages may be present if a person is in contact with the armor/sheath at its unbounded end. For these reasons, special bonding techniques of metal sheaths are employ…
The subtle balance of weak supramolecular interactions: The hierarchy of halogen and hydrogen bonds in haloanilinium and halopyridinium salts
2010
The series of haloanilinium and halopyridinium salts: 4-IPhNH₃Cl (1), 4-IPhNH₃Br (5), 4-IPhNH₃H₂PO₄ (6), 4-ClPhNH₃H₂PO₄ (8), 3-IPyBnCl (9), 3-IPyHCl (10) and 3-IPyH-5NIPA (3-iodopyridinium 5-nitroisophthalate, 13), where hydrogen or/and halogen bonding represents the most relevant non-covalent interactions, has been prepared and characterized by single crystal X-ray diffraction. This series was further complemented by extracting some relevant crystal structures: 4-BrPhNH3Cl (2, CCDC ref. code TAWRAL), 4-ClPhNH3Cl (3, CURGOL), 4-FPhNH3Cl (4, ANLCLA), 4-BrPhNH3H2PO4, (7, UGISEI), 3-BrPyHCl, (11, CIHBAX) and 3-ClPyHCl, (12, VOQMUJ) from Cambridge Structural Database for sake of comparison. Bas…
4-Chloronaphthalen-1-yl 4-methylbenzenesulfonate
2018
In the title compound, C17H13ClO3S, the naphthalene ring system and the benzene ring of the tosylate substituent are inclined to one another by 55.32 (5)°. The crystal structure features weak intermolecular C—H...O hydrogen bonds, one of which forms inversion dimers. Additional C—H...O hydrogen bonds and weak Cl...Cl halogen bonds stack the molecules along the b-axis direction.
3,5-Dimethoxyphenyl 4-methylbenzenesulfonate
2017
Molecules of the title compound, C15H16O5S, are composed of a 3,5-dimethoxyphenyl moiety substituted with a toluene-4-sulfonate group. The dihedral angle between two aromatic rings is 57.23 (4)°. In the crystal, molecules are connected by weak C—H...O hydrogen bonds and S...O van der Waals interactions.
Crystal structure of 3-(tri-phenyl-phosphoranyl-idene)-2,5-di-hydro-furan-2,5-dione tetra-hydro-furan monosolvate.
2018
The title pseudo-polymorph of 3-(triphenylphosphoranylidene)-2,5-dihydrofuran-2,5-dione crystallizes with a tetrahydrofuran solvent molecule, viz. C22H17O3P·C4H8O. The succinic anhydride ring is approximately planar (r.m.s. deviation = 0.032 Å). The tetrahydrofuran molecule is disordered over two orientations about a pseudo-twofold axis with refined occupancy ratio 0.718 (4):0.282 (4). In the crystal, C—H...O hydrogen bonds link molecules of the dihydrofuran-2,5-dione derivative into chains parallel to the b axis and arranged into layers stacked along [100] alternating with hydrogen-bonded tetrahydrofuran layers.
Crystal structure of bis(2-aminoanilinium) hydrogen phosphate
2016
In the title compound, the hydrogen phosphate anions are linked by O—H⋯O hydrogen bonds into chains parallel to [100]. The inorganic anionic chains and the organic cations are linked by N—H⋯O and N—H⋯N hydrogen bonds, forming a two-dimensional supramolecular network extending parallel to (001).
2-[4-(Dimethylamino)phenyl]-3,3-difluoro-3H-naphtho[1,2-e][1,3,2]oxazaborinin-2-ium-3-uide
2017
In the title compound, C19H17BF2N2O, a twist about the N—C single bond is observed, making the cross conjugation not as efficient as in the case of a planar structure. The borone complex has tetrahedral geometry. In the crystal, molecules are conected by weak C—H...F hydrogen bonds.
catena-Poly[[diaquabis[1,4-bis(pyridin-4-yl)buta-1,3-diyne-κN]iron(II)]-μ-cyanido-κ2N:C-[dicyanido-κ2C-platinum(II)]-μ-cyanido-κ2C:N]
2017
The molecular structure of the title compound, [FePt(CN)4(C14H8N2)2(H2O)2]n, consists of one-dimensional polymeric [–Fe–NC–Pt(CN)2–CN–]∞chains. Two water molecules and two monodentate 1,4-bis(pyridin-4-yl)buta-1,3-diyne (bpb) ligand molecules complete the octahedral coordination sphere of the FeIIatoms. The Fe—N(py) bond length (py is pyridine) is 2.2700 (15) Å, Fe—N(cyanide) is 2.1185 (16) Å and the Fe—O distance is 2.1275 (14) Å. The water molecules are hydrogen bonded to either bpb ligands or cyanide groups of the planar [Pt(CN)4]2−anion of adjacent polymeric chains. These O—H...N hydrogen bonds, in conjunction with offset and tilted π–π stacking interactions between bpb ligands and cyan…
Crystal structure and magnetic properties of (tris{4-[1-(2-methoxyethyl)imidazol-2-yl]-3-azabut-3-enyl}amine)iron(II) bis(hexafluoridophosph…
2019
The title compound, [Fe(C27H41N10O3)](PF6)2, is an example of an iron(II) spin-crossover compound. In this compound, C⋯F and CH⋯F/O contacts, present between the cations and anions, extend the structure into a three-dimensional supramolecular network.
Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-1-(4-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
2018
The title halogenated organic chalcone was prepared by a Claisen–Schmidt condensation reaction. A Hirshfeld surface analysis was carried out to reveal the percentage contributions of the intermolecular interactions. A theoretical study was performed using the density functional theory (DFT) at B3LYP with the 6–311 G++(d,p) basis set level to compare with the experimental results of the X-ray analysis and UV–vis absorption analysis in term of the geometrical parameters, HOMO-LUMO energy gap and charge distributions.