Results 111 to 120 of about 106,351 (226)

2-Methylsulfanyl-1,2,4-triazolo[1,5-a]quinazoline-5(4H)-thione

Acta Crystallographica Section E, 2013
In the title compound, C10H8N4S2, comprising fused six-, six- and five-membered rings, the molecule is close to being planar (r.m.s. deviation of the non-H atoms = 0.041 Å). The S-bound methyl group is folded away from the single N atom of the
Seik Weng Ng, Abd El-Galil E. Amr, Mohamed A. Al-Omar, Mohamed Marzouk, Rashad Al-Salahi, Edward R. T. Tiekink   +5 more
doaj   +1 more source

Racemic mefloquinium chlorodifluoroacetate: Crystal structure and Hirshfeld surface analysis [PDF]

, 2018
In the racemic title molecular salt, C17H17F6N2O+.C2ClF2O3 -(systematic name:2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium chlorodifluoroacetate), the cation, which is protonated at the piperidine N atom, has the shape of ...
Jotani, Mukesh M., Tiekink, Edward R. T. *, Wardell, James L., Wardell, Solange M. S. V.   +3 more
core   +2 more sources

The Charge-Transfer Motif in Crystal Engineering. Self-Assembly of Acentric (Diamondoid) Networks from Halide Salts and Carbon Tetrabromide as Electron-Donor/Acceptor Synthons [PDF]

, 2003
Unusual strength and directionality for the charge-transfer motif (established in solution) are shown to carry over into the solid state by the facile synthesis of a series of robust crystals of the [1:1] donor/acceptor complexes of carbon tetrabromide ...
Hecht, Jürgen, Kochi, Jay K., Lindeman, Sergey V.   +2 more
core   +1 more source

Supramolecular study, Hirshfeld analysis and theoretical study of 6-methoxyquinoline N-oxide dihydrate [PDF]

, 2013
In the crystal structure of 6-methoxyquinoline N-oxide dihydrate, C10H9NO2 center dot 2H(2)O, (I), the presence of two-dimensional water networks is analysed.
Hernandez, Geraldine, Kennedy, Alan, Moreno-Fuquen, Rodolfo, Morrison, Catriona A.   +3 more
core   +1 more source

Influence of Metal, Ligand and Solvent on Supramolecular Polymerizations with Transition-Metal Compounds: A Theoretical Study [PDF]

The nature of intermolecular interactions governing supramolecular polymerizations is very important to control their cooperativity. In order to address this problem, supramolecular columns made of Pt(II) and Pd(II) complexes of oligo(phenyleneethynylene)
Aida, Albuquerque, Allampally, Allampally, Bejagam, Bejagam, Bejagam, Bernet, Byrne, Cantekin, Chen, de Greef, Fernández, Fernández, Filot, Florian, García, Gopal, Hostaš, Jagtap, Jonkheijm, Klamt, Korevaar, Kulkarni, Maia, Mayoral, Mayoral, Mayoral Muñoz, McQuarrie, Mes, Rest, Rest, Rest, Stewart, Strassert, Tovar, Zhao, Řezáč   +37 more
core   +1 more source

Formulation pre-screening of inhalation powders using computational atom-atom systematic search method [PDF]

, 2014
This is an open access article published under a Creative Commons Attribution (CC-BY) License, which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.The synthonic modeling approach provides ...
Collins, Elizabeth, Forbes, Ben, Hammond, Robert B., Jaffari, Sara, Martin, Gary P., Murnane, Darragh, Pencheva, Klimentina, Pickering, Jonathan, Ramachandran, Vasuki, Roberts, Kevin J., Soufian, Majeed   +10 more
core   +4 more sources

Non-Classical Synthons: Supramolecular Recognition by S⋅⋅⋅O Chalcogen Bonding in Molecular Complexes of Riluzole.

Chemistry, 2019
Classical examples of supramolecular recognition units or synthons are the ones formed by hydrogen bonds. Here, we report the ubiquity of a S⋅⋅⋅O chalcogen bonded synthon observed in a series of supramolecular complexes of the amyotrophic lateral ...
Sajesh P. Thomas, Vijith Kumar, Khidhir Alhameedi, T. N. Guru Row   +3 more
semanticscholar   +1 more source

6-Methyl-7H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8(9H)-thione

IUCrData, 2016
In the molecule of the title compound, C6H7N5S, the triazole ring is planar, while the triazepine ring displays a boat conformation. The dihedral angle between the mean plane through the triazole and triazepine rings is 18.48 (8)°.
Youness El Bakri, Abdallah Harmaoui, El Mokhtar Essassi, Mohamed Saadi, Lahcen El Ammari   +4 more
doaj   +1 more source

2-{[2,8-Bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidin-1-ium trichloroacetate: Crystal structure and Hirshfeld surface analysis [PDF]

, 2018
The asymmetric unit of the centrosymmetric title salt, C17H17F6N2O+C2Cl3O2 , comprises a single ion-pair. The hydroxy-O and ammonium-N atoms lie to the same side of the cation, a disposition maintained by a charge-assisted ammonium-N—HO(hydroxy ...
Jotani, Mukesh M., Tiekink, Edward R. T. *, Wardell, James L.   +2 more
core   +1 more source

Control over the Self-Assembly Modes of Pt^II Complexes by Alkyl Chain Variation: From Slipped to Parallel π-Stacks [PDF]

, 2016
We report the self-assembly of a new family of hydrophobic, bis(pyridyl) PtII complexes featuring an extended oligophenyleneethynylene-derived π-surface appended with six long (dodecyloxy (2)) or short (methoxy (3)) side groups.
Aida, Allampally, Au-Yeung, Babu, Boekhoven, Busseron, Chan, Chang, Chen, Chen, Das, De Greef, Donnio, Eryazici, Finke, Gonzalez-Rodriguez, Johnstone, Kar, Kimizuka, Korevaar, Krikorian, Kui, Kulkarni, Lai, Lanigan, Leung, Leung, Li, Lok, Maia, Markvoort, Mauro, Mauro, Mayoral, Molla, Mongin, Müllen, Ng, Plasseraud, Po, Po, Rest, Rest, Rezáč, Rybtchinski, Schill, Stengel, Stepanenko, Tam, Tayi, ten Eikelder, Tian, Tian, Wang, Wei, Williams, Wong, Würthner, Xu, Yagai, Yam, Yang, Zhao   +62 more
core   +1 more source