Results 61 to 70 of about 833,376 (282)

d8···d10 RhI···AuI Interactions in Rh 2,6-Xylylisocyanide Complexes with [Au(CN)2]: Bond Analysis and Crystal Effects [PDF]

, 2019
Producción CientíficaThe well known [RhL4]n(anion)n structures, with RhI···RhI d8···d8 interactions, are replaced by others with RhI···AuI d8···d10 interactions such as [{RhL4}{Au(CN)2}] (L = 2,6-Xylylisocyanide) or [{RhL4}{Au(CN)2} {RhL4}{Au2(CN)3}·4(
Conejo Rodríguez, Verónica, Espinet Rubio, Pablo, Peñas de Frutos, Marconi Nicolás   +2 more
core   +2 more sources

The effect of hydrogen bonding on the π depletion and the π-π stacking interaction.

Physical Chemistry, Chemical Physics - PCCP
Non-covalent interactions such as hydrogen bonding and π-π stacking are essential types of interactions governing molecular self-assembly. The π-π stacking ability of aromatic rings depends on the electron density of the π orbitals, which is affected by ...
Usman Ahmed, D. Sundholm, Mikael P Johansson   +2 more
semanticscholar   +1 more source

Cell wall target fragment discovery using a low‐cost, minimal fragment library

FEBS Letters, EarlyView.
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan, Mathew Stanley, Olawale Raimi, Andrew T. Ferenbach, Helge C Dorfmueller, Daan M. F. van Aalten   +5 more
wiley   +1 more source

Anisotropic Dynamic Disorder of π‐Stacking and Static Disorder in Organic Electron Transporting Materials with Isomorphic Crystal Structures

Small Structures
In organic semiconductors, charge transport is strongly correlated with intermolecular π–π interactions and the dynamic disorder caused by solid‐state phonon vibrations.
Chae‐Won Lee, Uros Puc, Jeong Hyeon Lee, Na Young Cho, Jong Bum Lee, Yun‐Sang Lee, Jin Chul Kim, Woojin Yoon, Hoseop Yun, Seokhoon Jang, Youngu Lee, Jong H. Kim, Sang Kyu Kwak, Mojca Jazbinsek, O‐Pil Kwon   +14 more
doaj   +1 more source

Unveiling how intramolecular stacking modes of covalently linked dimers dictate photoswitching properties

Nature Communications, 2019
Covalently bridged π-stacked dimers are excellent molecular platforms for understanding the relationship between stacking orientation and properties. Here, the authors synthesize a pair of π-stacked dimers that are aligned either cofacially or crosswise,
Ru-Qiang Lu, Xiao-Yun Yan, Lei Zhu, Lin-Lin Yang, Hang Qu, Xin-Chang Wang, Ming Luo, Yu Wang, Rui Chen, Xiao-Ye Wang, Yu Lan, Jian Pei, Wengui Weng, Haiping Xia, Xiao-Yu Cao   +14 more
doaj   +1 more source

6-[6-(Pyridin-2-yl)-1,2,4,5-tetrazin-3-yl]pyridin-3-amine monohydrate

Acta Crystallographica Section E: Crystallographic Communications, 2016
The packing of the title compound, C12H9N7·H2O, is dominated by hydrogen bonding and π-stacking. Layers parallel to [010] are established by hydrogen bonds involving all amine donor functions and one of the water donor functions, while the remaining ...
Johannes Broichhagen, Yvonne E. Klingl, Dirk Trauner, Peter Mayer   +3 more
doaj   +1 more source

Absorbate-Induced Piezochromism in a Porous Molecular Crystal [PDF]

, 2015
Atmospherically stable porous frameworks and materials are interesting for heterogeneous solid–gas applications. One motivation is the direct and selective uptake of pollutant/hazardous gases, where the material produces a measurable response in the ...
Butler, KT, Chen, T-H, Cruickshank, DL, Hendon, CH, Kaveevivitchai, W, Miljanic, OS, Popov, I, Walsh, A, Wilson, CC, Wittering, KE   +9 more
core   +3 more sources

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +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

Rigidity−Stability Relationship in Interlocked Model Complexes Containing Phenylene-Ethynylene-Based Disubstituted Naphthalene and Benzene [PDF]

, 2009
Structural rigidity has been found to be advantageous for molecules if they are to find applications in functioning molecular devices. In the search for an understanding of the relationship between the rigidity and complex stability in mechanically ...
Benítez, Diego, Goddard, William A., III, Miljanic, Ognjen Š., Stoddart, J. Fraser, Tkatchouk, Ekaterina, Yoon, Il, Zhao, Yan-Li   +6 more
core   +2 more sources