Results 71 to 80 of about 18,738 (216)

(E)-{[(Butylsulfanyl)methanethioyl]amino}(4-methoxybenzylidene)amine: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2020
The title hydrazine carbodithioate, C13H18N2OS2, is constructed about a central and almost planar C2N2S2 chromophore (r.m.s. deviation = 0.0263 Å); the terminal methoxybenzene group is close to coplanar with this plane [dihedral angle = 3.92 (11)°].
Aqilah Fasihah Rusli, Huey Chong Kwong, Karen A. Crouse, Mukesh M. Jotani, Edward R. T. Tiekink   +4 more
doaj   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of (4-methylphenyl)[1-(pentafluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanone [PDF]

, 2021
Nazariy T. Pokhodylo, Yurii SLYVKA, Evgeny Goreshnik, Roman Lytvyn, Nazariy T. Pokhodylo, Yurii SLYVKA, Evgeny Goreshnik, Roman Lytvyn   +7 more
openalex   +1 more source

Tunable Photoluminescent and Photothermal Properties of Organic Cocrystals Containing Hydrogen‐Bonded Interlocked Planar Molecules

Advanced Science, EarlyView.
Engineering intramolecular hydrogen‐bonded planar architectures provides a versatile strategy for modulating the photoluminescent and photothermal behaviors of organic cocrystals. This work not only overcomes the limitations of selecting conjugated (hetero)aromatic compounds to meet the requirements of planarity and rigidity for cocrystal precursors ...
Xinmeng Chen, Ling Zhu, Shan He, Bin Liu, Qiang Lv, Xuedong Wang, Lin Xu, Yu Wang, Ryan T. K. Kwok, Jacky W. Y. Lam, Lianrui Hu, Wenping Hu, Ben Zhong Tang   +12 more
wiley   +1 more source

(E)-3-{[(2-Bromo-3-methylphenyl)imino]methyl}benzene-1,2-diol: crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2019
The title compound, C14H12BrNO2, was synthesized by the condensation reaction of 2,3-dihydroxybenzaldehyde and 2-bromo-3-methylaniline. It crystallizes in the centrosymmetric triclinic space group P\overline{1}. The configuration about the C=N bond is E.
Onur Erman Doğan, Necmi Dege, Erbil Ağar, Igor O. Fritsky   +3 more
doaj   +1 more source

Bis[bis(N-2-hydroxyethyl,N-isopropyl-dithiocarbamato)mercury(II)]2: crystal structure and Hirshfeld surface analysis [PDF]

, 2016
The presence of both κ2-chelating and μ2,κ2-tridentate bridging dithiocarbamate ligands in centrosymmetric {Hg[S2CN(iPr)CH2CH2OH]2}2 (1) leads to globular aggregates that are linked into a three-dimensional architecture via hydroxyl-O–H···O(hydroxy ...
Jotani, Mukesh M., Tan, Yee Seng *, Tiekink, Edward R. T. *   +2 more
core   +1 more source

Crystal structure, DFT and Hirshfeld surface analysis of N-acetyl-t-3-methyl-r-2,c-6-diphenylpiperidine [PDF]

, 2022
P. Periyannan, M. Beemarao, K Karthik, S. Ponnuswamy, K. Ravichandran, P. Periyannan, M. Beemarao, K Karthik, S. Ponnuswamy, K. Ravichandran   +9 more
openalex   +1 more source

Exceptional Enhancement of Optical Anisotropy Achieved via the Strategy of Combining Rigid Groups with High Symmetry and π‐Conjugated Organic Groups in Hybrid Fluorides

Advanced Science, EarlyView.
We successfully synthesized two types of strong optically anisotropic organic‐inorganic hybrid fluorosilicate birefringent crystals: (C6H5N2)2SiF6 and (C10H10N2)SiF6, by adopting a strategy where the inorganic rigid groups SiF6 guided the parallel arrangement of the organic π‐conjugated groups.
Ru‐Ling Tang, Bing‐Wei Miao, Guo‐Ren Zhu, Wenlong Liu, Sheng‐Ping Guo   +4 more
wiley   +1 more source

Piezofluorochromism in Aramid Dyads: Pressure‐Triggered Luminescence Enhancement with Predictable Emission Shifts

Advanced Science, EarlyView.
High‐pressure investigations uncover the structural determinants of luminescence intensity and shifts in aramids, establishing intrinsic intramolecular rotation as a reliable predictor of their piezofluorochromic behavior. Leveraging this insight, conjugation modulation is proposed as a precise strategy to tune their piezofluorochromic properties ...
Yayun Wang, Zhe Jia, Yaru Wang, Lin Wei, Zimin Hao, Yanan Wang, Jingwen Guo, Aisen Li, Lei Li, Kai Wang, Qian Li   +10 more
wiley   +1 more source

Bis[N-2-hydroxyethyl,N-methyldithiocarbamato-κ2S,S)'-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-κN1)zinc(II): crystal structure and Hirshfeld surface analysis

Acta Crystallographica Section E: Crystallographic Communications, 2017
In the title compound, [Zn(C4H8NOS2)2(C12H10N4)], the ZnII atom exists within a NS4 donor set defined by two chelating dithiocarbamate ligands and a pyridyl-N atom derived from a terminally bound 4-pyridinealdazine ligand.
Grant A. Broker, Mukesh M. Jotani, Edward R. T. Tiekink   +2 more
doaj   +1 more source

Extended Hirshfeld: atomic charges that combine accurate electrostatics with transferability [PDF]

, 2014
C
Ayers, Paul W, Van Speybroeck, Veronique, Verstraelen, Toon, Waroquier, Michel   +3 more
core   +1 more source