Results 31 to 40 of about 3,638,117 (299)

Bis{4-[(2-hydroxy-5-methoxy-3-nitrobenzylidene)amino]phenyl} ether

Acta Crystallographica Section E: Crystallographic Communications, 2020
The molecule of the title compound, C28H22N4O9, exhibits crystallographically imposed twofold rotational symmetry, with a dihedral angle of 66.0 (2)° between the planes of the two central benzene rings bounded to the central oxygen atom.
Md. Azharul Arafath, Huey Chong Kwong, Farook Adam, Md. Mohiuddin, Md. Sohug Sarker, Mohammad Salim, Md. Mahbubul Alam   +6 more
doaj   +1 more source

The Quantum Electronic Partitioning as Modernization in the Studies of the Intermolecular Interactions

Orbital: The Electronic Journal of Chemistry, 2022
Throughout the years, the evolution in the works involving hydrogen bond based on the direct determination of the interaction energy has become limited in order to characterize the electronic nature and interaction strength of the intermolecular system.
Boaz Galdino Oliveira
doaj   +1 more source

Phosphate Stabilization of Intermolecular Interactions [PDF]

Journal of Proteome Research, 2005
Receptor heteromerization is an important phenomenon that results from the interaction of epitopes on two receptors. Previous studies have suggested the possibility of Dopamine D2-NMDA receptors' interaction. We believe that the interaction is through an acidic epitope of the NMDA NR1 subunit (KVNSEEEEEDA) and a basic epitope of the D2 third ...
Shelley N, Jackson, Hay-Yan J, Wang, Alfred, Yergey, Amina S, Woods   +3 more
openaire   +2 more sources

Assessment of DFT functionals for calculating intermolecular interaction of nitrogen-containing heterocyclic complexes

, 2017
Nitrogen-containing heterocyclic complexes are important parts of many biological molecules including DNA, RNA, proteins and drug molecules, which often have weak intermolecular interactions.
Yun Wang, Guo, Tingting, Tingting Guo, Yin, Shiwei, Shiwei Yin, Wang, Yun   +5 more
core   +1 more source

6,6′-[(1E,1′E)-Oxybis(4,1-phenylene)bis(azanylylidene)bis(methanylylidene)]bis(2-methylphenol): supramolecular assemblies in two dimensions mediated by weak C—H...N, C—H...O and C—H...π interactions

Acta Crystallographica Section E: Crystallographic Communications, 2018
The title compound, C28H24N2O3, is a flexible Schiff base, having a dihedral angle of 59.53 (5)° between the mean planes of two phenyl rings bounded in the centre by a single O atom.
Md. Azharul Arafath, Huey Chong Kwong, Farook Adam, Mohd. R. Razali   +3 more
doaj   +1 more source

Bis(15-crown-5-κ5O)barium tetrakis(isothiocynato-κN)zinc(II)

IUCrData, 2019
In the title compound, [Ba(C10H20O5)2][Zn(NCS)4], the 15-crown-5 molecules are disordered over two positions with site occupancies of 0.706 (4) and 0.294 (4).
V. Ramesh, K. Rajarajan, B. Gunasekaran
doaj   +1 more source

Multimodal Child-Robot Interaction: Building Social Bonds [PDF]

, 2013
07.01.14 KB. Ok to add published version to spiral, OA paper.For robots to interact effectively with human users they must be capable of coordinated, timely behavior in response to social context.
Cosi, Piero, Belpaeme, TonyTW068020022768090000-0001-5207-7745034899FA-C938-11E5-A139-C70DB5D1D7B1, Demiris, Yiannis, Enescu, Valentin, Neerincx, Mark, Ros-Espinoza, Raquel, Athanasopoulos, Georgios, Hiolle, Antione, Kruijff-Korbayová, Ivana, Belpaeme, Tony, Wood, Rachel, Humbert, Remi, Cuayáhuitl, Heriberto, Cañamero, Lola, Racioppa, Stefania, Read, Robin, Lewis, Matthew, Kiefer, Bernd, Beck, Aryel, Paci, Giulio, Baxter, Paul E, Sommavilla, Giacomo, Baroni, Ilaria, Tesser, Fabio, Nalin, Marco, Looije, Rosemarijn   +25 more
core   +1 more source

Profiling Intermolecular Interactions of Theophylline: Analysis of Some Classes of Theophylline Containing Co-Crystals

Crystals
Intermolecular interactions play an important role in the formation and stability of co-crystals. In this study, the interaction behaviour of theophylline in co-crystal structures was systematically analysed using data from the Cambridge Structural ...
Martin H. Polko, Guido J. Reiss
doaj   +1 more source

The Crystal Structures of 4-(1-Methylpiperidin-1-ium-1-yl)-2,2-Diphenylbutanamide Bromide and 4-(1-Methylpiperidin-1-ium-1-yl)-2,2-Diphenylbutanamide Bromide Hemihydrate

Molbank
Fenpiverinium is an agent which, from a medical perspective, has anticholinergic and antispasmodic properties, with applications in the treatment of smooth muscle spasm.
Ioana-Georgeta Grosu, Alexandru Turza, Gheorghe Borodi, Maria-Olimpia Miclaus   +3 more
doaj   +1 more source

Conserved binding mode but diverse interfaces of MreC‐PBP2 interactions

FEBS Letters, EarlyView.
The crystal structure of abMreC reveals a conserved two β‐barrel architecture and provides structural insights into its role within the bacterial elongasome. The abMreC–abPBP2 complex model identifies the molecular basis of MreC‐mediated PBP2 recognition, contributing to the regulation of peptidoglycan synthesis.
Hyunseok Jang, Hyo Been Jin, Chang Min Kim, So Yeon Lee, Hyun Ho Park   +4 more
wiley   +1 more source