Results 51 to 60 of about 6,185,645 (365)

Crystal structure of 10-ethyl-7-(9-ethyl-9H-carbazol-3-yl)-10H-phenothiazine-3-carbaldehyde

Acta Crystallographica Section E: Crystallographic Communications, 2017
The title compound, C29H24N2OS, contains a phenothiazine moiety linked to a planar carbazole unit (r.m.s. deviation = 0.029 Å) by a C—C single bond. The phenothiazine moiety possesses a typical non-planar butterfly structure with a fold angle of 27.36 (9)
Vairavan Mahalakshmi, Siddan Gouthaman, Madurai Sugunalakshmi, Srinivasan Bargavi, Srinivasakannan Lakshmi   +4 more
doaj   +1 more source

Bis[N-benzyl-N-(2-phenylethyl)dithiocarbamato-κ2S,S′](1,10-phenanthroline-κ2N,N′)zinc(II)

IUCrData, 2017
In the title compound, [Zn(C16H16NS2)2(C12H8N2)], the ZnII atom exists within an N2S4 donor set that defines a distorted octahedral geometry; weak intramolecular C—H...S hydrogen bonds are noted.
A. S. Sonia, R. Baskaran, N. K. Lokanath, S. Selvanayagam   +3 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of 4-(4-chlorophenyl)-5-methyl-3-{4-[(2-methylphenyl)methoxy]phenyl}-1,2-oxazole

Acta Crystallographica Section E: Crystallographic Communications, 2021
In the title compound, C24H20ClNO2, the mean planes of 4-chlorophenyl, 2-methylphenyl and phenylene rings make dihedral angles of 62.8 (2), 65.1 (3) and 15.1 (2)°, respectively, with the 5-methyl-1,2-oxazole ring.
Abdullah Aydin, Mehmet Akkurt, Sumeyye Turanli, Deniz Lengerli, Erden Banoglu, Nefise Dilek Ozcelik   +5 more
doaj   +1 more source

Dominant couplings in qubit networks with controlled interactions [PDF]

J. Phys. A: Math. Theor. 48 215301 (2015), 2015
Systems evolving under the influence of competing two-body and three-body interactions, are of particular interest in exploring the stability of equilibrium states of strongly interacting many-body system. We present a solvable model based on qubit networks, which allows us to investigate the intricate influence of these couplings on the possible ...
arxiv   +1 more source

Synthesis and Crystal Structure of 6-Bromo-2-(furan-2-yl)-3-(prop-2-ynyl)-3H-imidazo[4,5-b]pyridine [PDF]

, 2013
The crystal and molecular structure of 6-bromo-2-(furan-2-yl)-3-(prop-2-ynyl)-3H-imidazo[4,5-b]pyridine (C13H8BrN3O) has been investigated from single crystal X-ray diffraction data.
Kandri Rodi, Youssef, Luis, Santiago V., Martí Vidal, Inés, Martí-Centelles, Vicente, Ouzidan, Younès   +4 more
core   +6 more sources

Crystal structure of methyl (2Z)-3-(4-chlorophenyl)-2-[(3-methyl-1H-indol-1-yl)methyl]prop-2-enoate

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title indole derivative, C20H18ClNO2, the chlorophenyl ring is almost perpendicular to the indole moiety, making a dihedral angle of 87.6 (1)°. The molecular packing is stabilized by C—H...π interactions, which form a C(9) chain motif along [10-1].
S. Selvanayagam, B. Sridhar, S. Kathiravan, R. Raghunathan   +3 more
doaj   +1 more source

Crystal structure of 3-[2-(thiophen-3-yl)ethynyl]-2H-chromen-2-one

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C15H8O2S, the coumarin moiety is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.025 Å) and is slightly inclined with respect to the plane of the thiophen-3-yl ring, forming a dihedral angle of 11.75 (8)°.
Ignez Caracelli, Stella H. Maganhi, Hélio A. Stefani, Karina Gueogjian, Edward R. T. Tiekink   +4 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of 2-(2-hydroxyphenyl)quinoline-6-sulfonamide

Acta Crystallographica Section E: Crystallographic Communications, 2022
In the title compound, C15H12N2O3S, there are two molecules (A and B) in the asymmetric unit. The attached phenol and quinoline moieties of each molecule are almost coplanar with a dihedral angle of 6.05 (15)° for molecule A and 1.89 (13)° for molecule B.
Nesrine Benarous, Nabila Moussa Slimane, Hassiba Bougueria, Mehdi Boutebdja, Aouatef Cherouana   +4 more
doaj   +1 more source

Dynamic and transformable Cu12 cluster-based C-H···π-stacked porous supramolecular frameworks

Nature Communications, 2023
The assembly of cluster-based π-stacked porous supramolecular frameworks presents daunting challenges, including the design of suitable cluster building units, control of the sufficient C-H···π interactions, trade-off between structural dynamics and ...
Chengkai Zhang, Zhi Wang, Weifeng Si, Hongxu Chu, Lan Zhou, Tong Li, Xian-Qiang Huang, Zhiyong Gao, Mohammad Azam, C. Tung, Ping Cui, Di Sun   +11 more
semanticscholar   +1 more source

Molecular insights into the modulation of the 5HT2A receptor by serotonin, psilocin, and the G protein subunit Gqα

FEBS Letters, Volume 599, Issue 6, Page 876-891, March 2025.
We explore 5HT2A receptor activation, a key target for psychedelic drugs, using molecular dynamics simulations. Without Gqα, the active receptor collapses to an inactive conformation, underscoring the G‐protein's role. Discovery of an intermediate “partially‐open” state and the higher affinity of ligands to the orthosteric binding site provides ...
Niklas Viohl, Ali Asghar Hakami Zanjani, Himanshu Khandelia   +2 more
wiley   +1 more source