Results 31 to 40 of about 5,905,192 (340)

Crystal structure of (4E)-4-(8-methoxy-2H-chromen-2-ylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C20H16N2O3, the phenyl substituent attached to the pyrazole ring makes a dihedral angle of 4.87 (7)° with the rest of the molecule.
Muhammad Salim, Munawar Ali Munawar, Muhammad Nawaz Tahir, Muhammad Shahid, Khizar Iqbal Malik   +4 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

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

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

Hydrogen and Lithium Bonds—Lewis Acid Units Possessing Multi-Center Covalent Bonds

Molecules, 2021
MP2/aug-cc-pVTZ calculations were carried out on complexes wherein the proton or the lithium cation is located between π-electron systems, or between π-electron and σ-electron units.
Mohammad Aarabi, Samira Gholami, Sławomir J. Grabowski   +2 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

Residues R177 and S178 of the human Na+/H+ antiporter NHA2 are involved in its inhibition by the flavonoid phloretin

FEBS Letters, Volume 599, Issue 6, Page 901-911, March 2025.
The human Na+/H+ antiporter NHA2 transports Na+ or Li+ in exchange for protons across cell membranes, and its dysfunction results in various pathologies, e.g., fertility disorders, hypertension, or diabetes. This work provides the molecular characterization of interactions of NHA2 with its specific inhibitor phloretin, which can be helpful for the ...
Olga Zimmermannova, Martin Kubeš, Tereza Przeczková, Gal Masrati   +3 more
wiley   +1 more source

Crystal structure of (2E)-1-(5-bromothiophen-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title compound, C13H8BrClOS, the thienyl ring is not coplanar with the benzene ring, their planes forming a dihedral angle of 13.2 (4)°. In the crystal, molecules stack along the a axis, with the interplanar separation between thienyl rings and ...
B. R. Anitha, M. Vinduvahini, A. J. Ravi, H. C. Devarajegowda   +3 more
doaj   +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

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