Results 21 to 30 of about 3,122,862 (161)

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

Enhanced photochemical oxidation ability of carbon nitride by π–π stacking interactions with graphene

, 2017
A one-pot method for the preparation of g-C3N4/reduced graphene oxide (rGO) composite photocatalysts with controllable band structures is presented.
Xun Li, Ding, Hao, Li, Xun, Chen, Daimei, Daimei Chen, Hao, Qiang, Hao Ding, Niu, Xiuxiu, Qiang Hao, Xiuxiu Niu, Simeng Hao, Hao, Simeng   +11 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

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

3-Nitrobenzaldehyde

IUCrData, 2018
Polymorph I of the title compound, C7H5NO3, is approximately planar: the dihedral angle between the benzene ring and the nitro group is 10.41 (4)° and the aldehyde O atom deviates from the ring plane by 0.165 (1) Å.
Antonius H.J. Engwerda, Sander J.T. Brugman, Paul Tinnemans, Elias Vlieg   +3 more
doaj   +1 more source

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

Synergistic 3D π–π networks enforce persistent foldamer configuration with tunable full-color circularly polarized luminescence

Communications Chemistry
Achieving molecular chirality with enantiostability in purely π-conjugated foldamers remains a substantial challenge due to inherently weak π-π stacking interactions and facile racemization.
Hao Hu, Qiangsheng Zhang, Ziyan Wu, Hongtao Liu, Jialin Xie, Zhenchang Wen, Weijie Chi, Jianwei Li, Chunman Jia   +8 more
doaj   +1 more source

Crystal structure of catena-poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ3O,N,O′)nickel(II)]-μ-pyrazine-κ2N:N′]

Acta Crystallographica Section E: Crystallographic Communications, 2016
The title coordination polymer, [Ni(C7H3NO4)(C4H4N2)(C2H6OS)]n, consists of [010] chains composed of NiII ions linked by bis-monodentate-bridging pyrazine molecules. Each of the two crystallographically distinct NiII ions is located on a mirror plane and
Chen Liu, Annaliese E. Thuijs, Ashley C. Felts, Hamza F. Ballouk, Khalil A. Abboud   +4 more
doaj   +1 more source

A Quantum Chemical Deep-Dive into the π-π Interactions of 3-Methylindole and Its Halogenated Derivatives—Towards an Improved Ligand Design and Tryptophan Stacking

Pharmaceuticals, 2022
Non-covalent π-π stacking interactions often play a key role in the stability of the secondary and tertiary structures of peptides and proteins, respectively, and can be a means of ensuring the binding of ligands within protein and enzyme binding sites ...
Ruben Van Lommel, Tom Bettens, Thomas M. A. Barlow, Jolien Bertouille, Steven Ballet, Frank De Proft   +5 more
doaj   +1 more source

Self-Recognizing π-π Stacking Interactions Designed for the Generation of Ultrastable Mesoporous Hydrogen-Bonded Organic Frameworks [PDF]

, 2019
Creating crystalline porous materials with large pores is typically challenging due to undesired interpen-etration, staggered stacking, or weakened framework stability.
Xuan, Zhang, Subhadip, Goswami, Xiaofeng, Liu, Haoyuan, Chen, Rodrigo, Maldonado, Randall Q., Snurr, Omar, Farha, Megan C., Wasson, Satoshi, Kato, Zhijie, Chen, Peng, Li, KAIKAI, MA, Yongwei, Chen, John, Xin   +13 more
core   +1 more source