Results 21 to 30 of about 227,309 (250)

Crystal structure of (μ-N-allylthiourea-κ2S:S)bis[μ-bis(diphenylphosphanyl)methane-κ2P:P′]bis[bromidocopper(I)] acetonitrile disolvate

Acta Crystallographica Section E: Crystallographic Communications, 2015
The reaction of cuprous bromide with a mixture of 1,1-bis(diphenylphosphanyl)methane (dppm: C25H22P2) and N-allylthiourea (ATU: C4H8N2S) in acetonitrile yielded the title solvated dinuclear complex, [Cu2Br2(C4H8N2S)(C25H22P2)2]·2C2H3N or [Cu2Br2(ATU ...
Mareeya Hemman, Chaveng Pakawatchai, Jaursup Boonmak, Sujittra Youngme, Saowanit Saithong   +4 more
doaj   +1 more source

2-[(2,4,6-Trimethylbenzene)sulfonyl]phthalazin-1(2H)-one: crystal structure, Hirshfeld surface analysis and computational study

Acta Crystallographica Section E: Crystallographic Communications, 2020
The X-ray crystal structure of the title phthalazin-1-one derivative, C17H16N2O3S {systematic name: 2-[(2,4,6-trimethylbenzene)sulfonyl]-1,2-dihydrophthalazin-1-one}, features a tetrahedral sulfoxide-S atom, connected to phthalazin-1-one and mesityl ...
David Chukwuma Izuogu, Jonnie Niyi Asegbeloyin, Mukesh M. Jotani, Edward R. T. Tiekink   +3 more
doaj   +1 more source

Stacking Entropy of Hard Sphere Crystals

, 1998
Classical hard spheres crystallize at equilibrium at high enough density. Crystals made up of stackings of 2-dimensional hexagonal close-packed layers (e.g.
A. D. Bruce, B. A. Berg, B. A. Berg, B. J. Alder, B. J. Alder, B. J. Alder, D. A. Young, D. Frenkel, D. Frenkel, David A. Huse, J. S. Dugdale, L. V. Woodcock, L. V. Woodcock, P. G. Bolhuis, P. N. Pusey, P. N. Pusey, R. J. Speedy, S.-E. Phan, Siun-Chuon Mau   +18 more
core   +1 more source

Pulling hairpinned polynucleotide chains: Does base-pair stacking interaction matter?

, 2001
Force-induced structural transitions both in relatively random and in designed single-stranded DNA (ssDNA) chains are studied theoretically. At high salt conditions, ssDNA forms compacted hairpin patterns stabilized by base-pairing and base-pair stacking
Haijun Zhou, Moroz J. D., Yang Zhang
core   +1 more source

Exploiting the CH-π interactions in supramolecular hydrogels of aromatic carbohydrate amphiphiles [PDF]

, 2011
A novel class of supramolecular hydrogels derived from amino sugars is reported, where the self-assembly of aromatic carbohydrate amphiphiles is driven by CH-π interactions, rather than π–π stacking and H-bonding associated with gelators based on ...
Banwell, Becke, Carrillo, Chen, Chen, Eichkorn, Gao, Goyal, Grimme, Gronwald, Ikeda, Jadhav, John, Jung, Kiyonaka, Kolb, Laughrey, Laurent, Lee, Liang, Ma, Morales, Nishio, Ozbas, Plante, Plevin, Pochan, Ramirez-Gualito, Schneider, Screen, Smith, Spain, Stanca-Kaposta, Takahashi, Tatko, Tuttle, Ulijn, van Esch, Vemula, Wang, Weber, Weigend, Xu, Yan, Yan, Yang, Yang, Zhou   +47 more
core   +1 more source

Crystal structures of the human Dysferlin inner DysF domain [PDF]

, 2014
Background: Mutations in dysferlin, the first protein linked with the cell membrane repair mechanism, causes a group of muscular dystrophies called dysferlinopathies.
Cole, Ambrose R., Keep, Nicholas H., Orengo, C., Sula, Altin, Yeats, C.   +4 more
core   +1 more source

Crystal structure of 3-(4-methylphenyl)-1-phenyl-5-[(E)-2-phenylethenyl]-1H-pyrazole

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C24H20N2, the dihedral angles between the pyrazole ring and the pendant phenyl, toluoyl and phenylethenyl rings are 41.50 (8), 4.41 (8) and 31.07 (8)°, respectively.
Farook Adam, Sharath Poojary Charishma, Basrur Ramya Prabhu, Seranthimata Samshuddin, Nadiah Ameram   +4 more
doaj   +1 more source

Stability and magnetic properties of Fe double-layers on Ir (111)

, 2018
We investigate the interplay between the structural reconstruction and the magnetic properties of Fe doublelayers on Ir (111)-substrate using first-principles calculations based on density functional theory and mapping of the total energies on an ...
Dupé, Bertrand, Dupé, Melanie, Heinze, Stefan, Sinova, Jairo   +3 more
core   +1 more source

Fmoc–RGDS based fibrils: atomistic details of their hierarchical assembly [PDF]

, 2016
We describe the 3D supramolecular structure of Fmoc–RGDS fibrils, where Fmoc and RGDS refer to the hydrophobic N-(fluorenyl-9-methoxycarbonyl) group and the hydrophilic Arg-Gly-Asp-Ser peptide sequence, respectively.
Alemán Llansó, Carlos, Hamley, I. W., Poater, Jordi, Solà, Miquel, Zanuy Gomara, David   +4 more
core   +3 more sources

4-(4-Chlorophenyl)-1,2,3-selenadiazole

IUCrData, 2018
In the title compound, C8H5ClN2Se, the dihedral angle between the planes of the selenadiazole and chlorophenyl rings is 16.6 (2)°. In the crystal, the packing of the molecules is consolidated by weak C—H...N hydrogen bonds, which generate [001] chains ...
K. Ravichandran, S. Ranjith, S. Sankari, M. Beemarao, M. N. Ponnuswamy   +4 more
doaj   +1 more source