Results 21 to 30 of about 49,183 (118)

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

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

A dibenzofuran derivative: 2-(pentyloxy)dibenzo[b,d]furan

IUCrData, 2018
The title compound, C17H18O2, crystallizes in two-dimensional sheets, in which the 2-(pentyloxy)dibenzo[b,d]furan molecules are arranged in a head-to-head and tail-to-tail fashion that enables hydrophobic interactions between fully extended 2-pentoxy ...
Navneet Goyal, James P. Donahue, Camilla Do, Timothy Perry, Kyla Bongay-Williams, Maryam Foroozesh   +5 more
doaj   +1 more source

1-Benzyl-3-methylquinoxalin-2(1H)-one

IUCrData, 2018
The asymmetric unit of the title compound, C16H14N2O, contains three independent molecules differing primarily in the orientations of the benzyl groups. Each independent molecule forms inversion related dimers via offset π-stacking interactions.
Youssef Ramli, Youness El Bakri, L'houssaine El Ghayati, El Mokhtar Essassi, Joel T. Mague   +4 more
doaj   +1 more source

3-[6-(4-Methoxyphenyl)-2-methylpyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)quinoline

IUCrData, 2018
In the title compound, C26H27N5O, the piperazine ring adopts a chair conformation. The pyrimidine ring makes a dihedral angle of 1.5 (1)° with the methoxyphenyl ring and 33.1 (1)° with the quinoline ring system. In the crystal, molecules are consolidated
Vikram. D. Singh, Sumati Anthal, N. R. Desai, D. B. Arunakumar, S. Sreenivasa, Kamni, Rajni Kant   +6 more
doaj   +1 more source

Cooperative Ternary Assemblies Involving Anion–π/π–π/Anion–π Assemblies and Unconventional Cl⋯Cl Interactions in Cu(II) Coordination Compounds: Experimental and Theoretical Studies

Crystals, 2023
Two coordination compounds of Cu(II), namely, [Cu (phen)2Cl](NO3)·H2O (compound 1) and [Cu2(µ-Cl2)Cl2(Hdmpz)4] (compound 2), where phen = 1,10-phenanthroline and Hdmpz = 3,5-dimethylpyrazole, were synthesized at room temperature and characterized using ...
Pinku Sarma, Rosa M. Gomila, Antonio Frontera, Miquel Barcelo-Oliver, Manjit K. Bhattacharyya   +4 more
doaj   +1 more source

(3Z)-3-Benzylidene-1H-benzimidazo[1,2-a]imidazol-2(3H)-one

IUCrData, 2016
In the title compound, C16H11N3O, the molecular conformation is partially determined by an intramolecular C—H...π(ring) interaction. In the crystal, pairwise N—H...N hydrogen bonds form dimers, which associate into stacks through a combination of C—H...O,
Mohammed Rida, Youness El Bakri, El Mokhtar Essassi, Joel T. Mague   +3 more
doaj   +1 more source

Role of molecular packing in RTP features of positional isomers: The case study of triimidazo-triazine functionalized with ethynyl pyridine moieties

Next Materials
Organic materials characterized by multi-component emissive behavior including RTP features are extremely desirable for various applications. Frequently, long lasting emissions of solids are originated from intermolecular interactions whose role is far ...
Daniele Malpicci, Stefano Di Ciolo, Elena Cariati, Elena Lucenti, Daniele Marinotto, Daniele Maver, Clelia Giannini, Lucia Carlucci, Chiara Botta, Alessandra Forni   +9 more
doaj   +1 more source