Results 31 to 40 of about 166,291 (161)

10-Methyl-10H-phenothiazine

IUCrData, 2016
In the title compound C13H11NS, the phenothiazine unit has a non-planar butterfly structure, and the central six-membered ring adopts a boat conformation.
Parvathi Malikireddy, Gouthaman Siddan, Sugunalakshmi Madurai, Suvasini Chandramouleeswaran, Lakshmi Srinivasakannan   +4 more
doaj   +1 more source

Anion–π and Cation–π Interactions on the Same Surface [PDF]

, 2014
Herein, we address the question whether anion–π and cation–π interactions can take place simultaneously on the same aromatic surface. Covalently positioned carboxylate–guanidinium pairs on the surface of 4-amino-1,8-naphthalimides are used as an example ...
Marie Humbert‐Droz, Kaori Fujisawa, Wesolowski, Tomasz Adam, Jiri Mareda, Naomi Sakai, Tomasz A. Wesolowski, Adam Wilson, Fujisawa, Kaori, Humbert-Droz, Marie, Stefan Matile, César Beuchat, Wilson, Adam, Mareda, Jiri, Matile, Stefan, Sakai, Naomi, Beuchat, Cesar   +15 more
core   +1 more source

Butyl 2-[(azidocarbonyl)amino]benzoate

IUCrData, 2016
The title compound, C12H14N4O3, is planar with an r.m.s deviation of 0.025 Å from the plane through all 19 non-hydrogen atoms. An intramolecular N—H...O interaction closes an S(6) ring.
Hasna Yassine, Mostafa Khouili, Abderrafia Hafid, Olivier Mentre, El Mostafa Ketatni   +4 more
doaj   +1 more source

Probing Halogen-π versus CH-π Interactions in Molecular Balance [PDF]

, 2020
Molecular balances based on the dibenzobicyclo[3.2.2]nonane template enable probing of the competition between halogen-π and CH-π interactions. Structural, NMR spectroscopic, and computational analyses revealed that the π system can favorably interact ...
Mecinovic, J., Bickelhaupt, F.M., Bickelhaupt, F. Matthias, Jian, J., Poater, J., Mecinović, Jasmin, McKenzie, C. J., White, Paul B., McKenzie, Christine J.; id_orcid, Jian, Jie, Mckenzie, Christine J., White, P.B., Poater, Jordi, Mecinović, Jasmin; id_orcid   +13 more
core   +1 more source

Crystal structure of dichlorido{2,6-bis[(3-phenyl-1H-pyrazol-1-yl)methyl]pyridine}cobalt(II)

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the title complex, [CoCl2(C25H21N5)], the CoII atom is coordinated by two Cl atoms and two N atoms, provided by a tridentate pyrazolylpyridyl ligand, forming a slightly distorted tetrahedral geometry [range of angles: 96.51 (10) (chelate ring) to 118 ...
Kyung-sun Son, Jeong Oh Woo, Daeyoung Kim, Sung Kwon Kang   +3 more
doaj   +1 more source

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

Landscape of π–π and sugar–π contacts in DNA–protein interactions [PDF]

, 2015
There were 1765 contacts identified between DNA nucleobases or deoxyribose and cyclic (W, H, F, Y) or acyclic (R, E, D) amino acids in 672 X-ray structures of DNA–protein complexes.
Katie A. Wilson (696451), Stacey D. Wetmore (696456), Rachael A. Wells (696452), Minette N. Abendong (696453), Ryan W. Kung (696455), Colin B. Anderson (696454)   +5 more
core   +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

Supramolecular assembly of Mg(II) complexes directed by associative lone Pair-π/π-π/π-Anion-π/π-Lone pair interactions [PDF]

, 2010
Two Mg(II) malonate complexes with protonated 2-aminopyridine and protonated 2-amino-4-picoline as counterions, namely, (C5H 7N2)4[Mg(C3H2O 4)2(H2O)2](ClO4) 2 (1) and (C6H8N2H) 2[Mg(C3H2O4)2(H 2O)2] 4H2O (2) [C5H 7N2 = protonated 2-aminopyridine, C3H 4O4
Yalamanchili, Sampath Kumar, Choudhury, Somnath Ray, Das, Amrita, Dey, Biswajit, Estarellas, Carolina, Mukhopadhyay, Subrata, Gamez, Patrick, Frontera, Antonio, Helliwell, Madeleine   +8 more
core   +1 more source

Ethyl 2-[(azidocarbonyl)amino]benzoate

IUCrData, 2016
In the almost planar (r.m.s. deviation = 0.038 Å) title compound, C10H10N4O3, an intramolecular N—H...O interaction closes an S(6) ring. In the crystal, aromatic π–π stacking interactions occur [inter-centroid distance = 3.65 (2) Å].
Hasna Yassine, Abderrafia Hafid, Mostafa Khouili, Olivier Mentre, El Mostafa Ketatni   +4 more
doaj   +1 more source