Results 111 to 120 of about 1,206,495 (293)

Structural systematics of aryl-1,3-dithiane derivatives: crystal and energy-minimised structures, and Hirshfeld surface analysis [PDF]

, 2016
The crystal structure analysis of three aryl-1,3-dithiane derivatives, with aryl=4-methylphenyl (1), 4-chlorophenyl (2) and 2,4-dichlorophenyl (3), shows the three molecules to have very similar conformations, with the aryl ring lying on an approximate ...
Gozhina, Olga, Sousa Madureira, Lucas, Stefani, Hélio A., Tiekink, Edward R. T. *, Zukerman-Schpector, Julio   +4 more
core   +1 more source

Crystal Structures and Intermolecular Interactions in α$\alpha$‐ and β$\beta$‐phosgene

Angewandte Chemie, Volume 138, Issue 2, 9 January 2026.
Despite its notorious reputation as a war gas, phosgene (COCl2${\rm COCl}_2$) is one of the most important intermediate chemicals in industry. In this study, we present the crystal structures of two phosgene polymorphs as deduced from powder neutron diffraction and show which intermolecular interactions stabilise the different modifications.
Sven Ringelband, Jonathan Pfeiffer, A. Dominic Fortes, Christopher M. Howard, Stewart F. Parker, Antti J. Karttunen, Frank Tambornino   +6 more
wiley   +2 more sources

Determination of the nature of the Cu coordination complexes formed in the presence of NO and NH3 within SSZ-13 [PDF]

, 2015
Ammonia-selective catalytic reduction (NH3-SCR) using Cu zeolites is a well-established strategy for the abatement of NOx gases. Recent studies have demonstrated that Cu is particularly active when exchanged into the SSZ-13 zeolite, and its location in ...
Andrew M. Beale, Andy Van Yperen-De Deyne, David S. Wragg, Ines Lezcano-Gonzalez, Karen Hemelsoet, Michel Waroquier, Mingos D. M. P., Veronique Van Speybroeck, Wojciech A. Slawinski   +8 more
core   +2 more sources

Enhanced Selectivity of Chalcogen Bonding over Halogen Bonding Catalyzed C‐glycosylation Through Differentiated Intermediate Activation

Angewandte Chemie, Volume 138, Issue 2, 9 January 2026.
By harnessing chalcogen bonding (ChB) catalysis, an exclusive access into a highly stereoselective strain‐release C‐glycosylation pathway was discovered. This was surprisingly not replicable by the conceptually similar halogen bonding (XB) catalysis.
Hao Guo, Charles C. J. Loh
wiley   +2 more sources

Crystal structure and Hirshfeld surface analysis of (C7H9N4O2)[ZnCl3(H2O)]

Acta Crystallographica Section E: Crystallographic Communications, 2020
In the title molecular salt, 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium aquatrichloridozincate(II), (C7H9N4O2)[ZnCl3(H2O)], the fused ring system of the cation is close to planar, with the largest deviation from the mean plane being 0.037 ...
Hicham El Hamdani, Mohamed El Amane, Mohamed Saadi, Lahcen El Ammari   +3 more
doaj   +1 more source

Extended Hirshfeld: atomic charges that combine accurate electrostatics with transferability [PDF]

, 2014
C
Ayers, Paul W, Van Speybroeck, Veronique, Verstraelen, Toon, Waroquier, Michel   +3 more
core   +1 more source

Supramolecular association in (μ2-pyrazine)-tetrakis(N,N-bis(2-hydroxyethyl)dithiocarbamato)dizinc(II) and its di-dioxane solvate [PDF]

, 2017
The crystal and molecular structures of {Zn[S2CN(CH2CH2OH)2]2}2(pyrazine), (1), and its di-dioxane solvate, (2), are described. In each of these, the centrosymmetric, binuclear molecule features a five-coordinated, highly distorted square-pyramidal ...
Arman, Hadi D., Jotani, Mukesh M., Poplaukhin, Pavel, Tiekink, Edward R. T. *   +3 more
core   +1 more source

Mono‐Amination of Methyl‐α‐d‐glucoside via Borrowing Hydrogen with Recyclable Ru/C

ChemCatChem, EarlyView.
Mono‐amination of methyl‐α‐d‐glucoside in the presence of a recyclable Ru based catalyst: effect of the nature of the atmosphere. Abstract This study presents a highly efficient and sustainable method for the mono‐amination of unprotected sugar derivatives using a commercially available Ru/C heterogeneous catalyst under borrowing hydrogen (BH ...
Hana Bensalem, Pierre Roy, Sophie Hameury, Thierry Tassaing, Frédéric Guégan, François Jérôme, Karine De Oliveira Vigier   +6 more
wiley   +1 more source

N′-[(1E)-(5-Nitrofuran-2-yl)methylidene]thiophene-2-carbohydrazide: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2016
In the title carbohydrazide, C10H7N3O4S, the dihedral angle between the terminal five-membered rings is 27.4 (2)°, with these lying to the same side of the plane through the central CN2C(=O) atoms (r.m.s.
Laura N. F. Cardoso, Thais C. M. Nogueira, James L. Wardell, Solange M. S. V. Wardell, Marcus V. N. de Souza, Mukesh M. Jotani, Edward R. T. Tiekink   +6 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2H-anthra[1,2-b][1,4]dioxepine-8,13-dione

Acta Crystallographica Section E: Crystallographic Communications, 2020
The title compound, C17H12O4, was synthesized from the dye alizarin. The dihedral angle between the mean plane of the anthraquinone ring system (r.m.s. deviation = 0.039 Å) and the dioxepine ring is 16.29 (8)°. In the crystal, the molecules are linked by
Sofia Zazouli, Mohammed Chigr, Ahmed Jouaiti, Nathalie Kyritsakas, El Mostafa Ketatni   +4 more
doaj   +1 more source