Results 131 to 140 of about 6,498 (218)

Crystal Structure, Hirshfeld Surface Analysis and Biological Activities of trans-Dipyridinebis(3-acetyl-2-oxo-2H-chromen-4-olato)cobalt(II)

Acta Chimica Slovenica, 2019
The novel cobalt(II) complex, trans-dipyridinebis(3-acetyl-2-oxo-2H-chromen-4-olato)cobalt(II), was synthesized in ethanol. The coordination sphere of the cobalt cation was elucidated using single-crystal X-ray diffraction analysis and spectroscopic ...
Linda Bejaoui, Jan Rohlíček, Vaclav Eigner, Amel Ismail, Monia El Bour, Rached Ben Hassen   +5 more
doaj   +1 more source

Synthesis and Crystal Structure of Adamantylated 4,5,6,7-Tetrahalogeno-1H-benzimidazoles Novel Multi-Target Ligands (Potential CK2, M2 and SARS-CoV-2 Inhibitors); X-ray/DFT/QTAIM/Hirshfeld Surfaces/Molecular Docking Study. [PDF]

Molecules, 2022
Latosińska JN, Latosińska M, Orzeszko A, Maurin JK.   +3 more
europepmc   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of a 1D coordination polymer catena-poly[[diaquabis(nicotinamide-κN1)nickel(II)]-μ-fumarato-κ2O1:O4]

Acta Crystallographica Section E: Crystallographic Communications, 2018
The reaction of NiCl2 with fumaric acid and nicotinamide in basic solution produces the title polymeric complex, [Ni(C4H2O4)(C6H6N2O)2(H2O)2]n. The NiII cation, located on an inversion centre, is coordinated by two O atoms of the fumarate dianions, two N
Sevgi Kansiz, Necmi Dege, Valentina A. Kalibabchuk   +2 more
doaj   +1 more source

Anion height as a controlling parameter for the superconductivity in iron pnictides and cuprates

, 2010
Both families of high $T_c$ superconductors, iron pnictides and cuprates, exhibit material dependence of superconductivity. Here, we study its origin within the spin fluctuation pairing theory based on multiorbital models that take into account realistic
Andersen, Bickers, Boeri, Dahm, de la Cruz, Dong, Eto, Fletcher, Freeman, Graser, Hanaguri, Ikeda, Ishibashi, Ishida, Jorgensen, Kamihara, Kamihara, Kamihara, Kamimura, Kariyado, Kazuhiko Kuroki, Kent, Kuroki, Kuroki, Kuroki, Kuroki, Lebegue, Lee, Lumsden, Maier, Marzari, Mazin, Mazin, Moriya, Ohta, Pavarini, Prelovšek, Ren, Sakakibara, Scalapino, Shih, Shiraishi, Singh, Souza, Takimoto, Tanaka, Vildosola, Wagner, Wang, Yada   +49 more
core   +1 more source

Hirshfeld surfaces from experimental charge-density data [PDF]

Acta Crystallographica Section A Foundations of Crystallography, 2010
Radosław Kamiński, Anna A. Hoser, Krzysztof Woźniak   +2 more
openaire   +1 more source

Crystal structure and Hirshfeld surface analysis of dimethyl(phenyl)phosphine sulfide

Acta Crystallographica Section E Crystallographic Communications
The title compound, C8H11PS, which melts below room temperature, was crystallized at low temperature. The P—S bond length is 1.9623 (5) Å and the major contributors to the Hirshfeld surface are H...H (58.1%), S...H/H...S (13.4%) and C...H/H...C contacts (11.7%).
Robin Risken, Yasin Mehmet Kuzu, Annika Schmidt, Carsten Strohmann   +3 more
openaire   +3 more sources

Polymorphism and Hirshfeld surface analysis of tetraoxa[2]perfluoroarene[2]triazine

Acta Crystallographica Section E Crystallographic Communications
The title compound, tetraoxa[2]perfluoroarene[2]triazine (C20H6F8N6O6), composed of two tetrafluorophenylene and two triazine moieties connected by four oxygen atoms, was crystallized via slow evaporation of a dichloromethane solution, yielding two polymorphs: block- (I) and plate-shaped (II) crystals. Polymorph I (triclinic, P 1, V =
Tadashi Kawasaki, Akiko Hori
openaire   +3 more sources

A self-consistent Hirshfeld method for the atom in the molecule based on minimization of information loss [PDF]

, 2011
Ayers, Paul W., Bultinck, Patrick, Ghillemijn, Dieter, Van Neck, Dimitri   +3 more
core   +2 more sources

Crystal Structures, Hirshfeld Surfaces, and Thermal Study of Isostructural Polymeric Ladders of La(III) and Sm(III) Coordination Compounds with 4,4'-Bipyridine and Dibromoacetates. [PDF]

Materials (Basel), 2020
Czylkowska A, Pietrzak A, Szczesio M, Rogalewicz B, Wojciechowski J.   +4 more
europepmc   +1 more source

Synthesis, structure and Hirshfeld surface analysis of pyridinium derivative crystals

Molecular Crystals and Liquid Crystals
Slow evaporation methods were employed to grow single crystals of 3-acetylpyridinium picrate (I), 4-acetylpyridinium picrate (II), and pyridin-4-ylmethanaminium 2,2-diphenylacetate hydrate (III). Crystal (I) and (III) crystallize triclinic crystal system with a centric (Pī) space group and (II) crystallize in a monoclinic system with a centric (P21/c ...
V. Balasubramanian, L. Guganathan, S. Ignatius Arockiam, C. Balakrishnan   +3 more
openaire   +1 more source