Results 41 to 50 of about 4,947,350 (304)

Crystal Structure Of N-phenyl-3-[2-(4′-chlorophenylthio)propanoyl]-2- Azetidinone, C18h16cino2s

, 2015
C18H16ClNO2S, monoclinic, P12 1/c1 (no. 14), a = 10.211(1) Å, b = 6.5258(9) Å, c = 24.334(3) Å, β = 90.279(9)°, V = 1621.5 Å3, Z = 4, Rgt(F) = 0.044, wRref(F2) = 0.112, T = 293 K.
Rittner R., Domingues N.L.C., Olivato P.R., Mondino M.G., Zukerman-Schpector J., Reis A.K.C.A., Lima F.S.   +6 more
core   +1 more source

Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones

Acta Crystallographica Section E: Crystallographic Communications, 2017
The syntheses and crystal structure of 3-chloro-3-methyl-r-2,c-6-diphenylpiperidin-4-one, C18H18ClNO, (I), 3-chloro-3-methyl-r-2,c-6-di-p-tolylpiperidin-4-one, C20H22ClNO, (II), and 3-chloro-3-methyl-r-2,c-6-bis(4-chlorophenyl)piperidin-4-one ...
R. Arulraj, S. Sivakumar, Manpreet Kaur, A. Thiruvalluvar, Jerry P. Jasinski   +4 more
doaj   +1 more source

Neural structure fields with application to crystal structure autoencoders

Communications Materials, 2023
Representing crystal structures of materials to facilitate determining them via neural networks is crucial for enabling machine-learning applications involving crystal structure estimation.
Naoya Chiba, Yuta Suzuki, Tatsunori Taniai, Ryo Igarashi, Yoshitaka Ushiku, Kotaro Saito, Kanta Ono   +6 more
doaj   +1 more source

Crystal structures of two 2,3-diaryl-2,3-dihydro-4H-1,3-benzothiazin-4-ones

Acta Crystallographica Section E: Crystallographic Communications, 2018
The syntheses and crystal structures of 2,3-bis[3-(trifluoromethyl)phenyl]-2,3-dihydro-4H-1,3-benzothiazin-4-one (di-m-CF3; C22H13F6NOS) (1) and 2,3-bis(4-methylphenyl)-2,3-dihydro-4H-1,3-benzothiazin-4-one (di-p-CH3; C22H19NOS) (2) are reported.
Hemant P. Yennawar, Michaela J. Buchwalter, Baylee K. Colburn, Lee J. Silverberg   +3 more
doaj   +1 more source

Crystal structure of flucetosulfuron [PDF]

Acta Crystallographica Section E Crystallographic Communications, 2017
The title compound, {systematic name: 1-[3-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]amino}sulfonyl)pyridin-2-yl]-2-fluoropropyl 2-methoxyacetate}, C18H22FN5O8S, is used as a herbicide (pyrimidinylsulfonylurea herbicide). The dihedral angle between the mean planes of the pyridine and pyrimidine rings is 86.90 (7)°.
Hyunjin Park, Jineun Kim, Eunjin Kwon, Tae Ho Kim   +3 more
openaire   +3 more sources

Crystal structures of two (Z)-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetamides

Acta Crystallographica Section E: Crystallographic Communications, 2017
The crystal structures of two (oxothiazolidin-2-ylidene)acetamides, namely (Z)-2-[2-(morpholin-4-yl)-2-oxoethylidene]thiazolidin-4-one, C9H12N2O3S, (I), and (Z)-N-(4-methoxyphenyl)-2-(4-oxothiazolidin-2-ylidene)acetamide, C12H12N2O3S, (II), are described
Aleksei Galushchinskiy, Pavel Slepukhin, Konstantin Obydennov   +2 more
doaj   +1 more source

Crystal structure of anilazine [PDF]

Acta Crystallographica Section E Structure Reports Online, 2014
The title compound [systematic name: 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine], C9H5Cl3N4, is a triazine fungicide. The dihedral angle between the planes of the triazine and benzene rings is 4.04 (8)°. In the crystal, two weak C—H...N hydrogen bonds and short Cl...Cl contacts [3.4222 (4) Å] link adjacent molecules, forming two-dimensional ...
Youngeun Jeon, Jineun Kim, Gihang Kang, Tae Ho Kim   +3 more
openaire   +3 more sources

Crystal Structure Of Bis(acetylacetonato)bis(quinoline)nickel(ii), Ni(c5h14o2n)2(c9h 7n)2

, 2015
C28H28N2NiO4, triclinic, P1̄ (no. 2), a = 7.9202(6) Å, b = 8.0496(6) Å, c = 10.246(1) Å, α = 97.15(1)°, β = 106.68(1)°, γ = 94.686(9)°, V = 616.1 Å3, Z = 1, Rgt(F) = 0.028, wRref(F2) = 0.078, T = 293 K.
Dunstan P.O., Caracelli I., Trindade A.C., Cussigh O., Zukerman-Schpector J.   +4 more
core   +1 more source

Crystal structures of two (±)-exo-N-isobornylacetamides

Acta Crystallographica Section E: Crystallographic Communications, 2015
The title compounds consist of a bornane skeleton with attached acetamide, C12H21NO (±)-(1) {systematic name: (±)-N-[(1RS,2RS,4RS)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]acetamide}, and chloroacetamide, C12H20ClNO (±)-(2) {systematic name: (±)-2-chloro-
Dmitrijs Stepanovs, Daniels Posevins, Maris Turks   +2 more
doaj   +1 more source

Crystal structure of flumioxazin [PDF]

Acta Crystallographica Section E Crystallographic Communications, 2015
The title compound {systematic name: 2-[7-fluoro-3,4-dihydro-3-oxo-4-(prop-2-yn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione}, C19H15FN2O4, is a dicarboximide herbicide. The dihedral angle between the maleimide and benzene ring planes is 66.13 (5)°.
Hyunjin Park, Jineun Kim, Eunjin Kwon, Tae Ho Kim   +3 more
openaire   +3 more sources