Results 21 to 30 of about 622,957 (315)
Crystal structure of tolylfluanid [PDF]
Acta Crystallographica Section E Structure Reports Online, 2014 The title compound, C10H13Cl2FN2O2S2{systematic name:N-[(dichlorofluoromethyl)sulfanyl]-N′,N′-dimethyl-N-p-tolylsulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the dimethylamino group and that of the benzene ring is 32.3 (3)°.
Seonghwa Cho +3 more
openaire +3 more sources
Crystal structure of cyclosulfamuron [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2015 The title compound (systematic name: 1-{[2-(cyclopropylcarbonyl)anilino]sulfonyl}-3-(4,6-dimethoxypyrimidin-2-yl)urea), C17H19N5O6S, is a pyrimidinylsulfonylurea herbicide. The dihedral angles between the mean planes of the central benzene ring and the cyclopropyl and pyrimidinyl rings are 75.32 (9) and 88.79 (4)°, respectively.
Gihaeng Kang +3 more
openaire +3 more sources
Crystal structure of benzobicyclon [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2015 In the title compound, C22H19ClO4S2[systematic name: 3-(2-chloro-4-mesylbenzoyl)-4-(phenylsulfanyl)bicyclo[3.2.1]oct-3-en-2-one], which is an unclassified herbicide, the dihedral angle between the plane of the phenyl and chlorobenzene rings is 19.9 (2)°. In the crystal, C—H...O hydrogen bonds link adjacent molecules, generating two-dimensional networks
Gihaeng Kang +3 more
openaire +3 more sources
Crystal structure of oxadiargyl [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2015 In the title compound {systematic name: 5-tert-butyl-3-[2,4-dichloro-5-(prop-2-ynyloxy)phenyl]-1,3,4-oxadiazol-2(3H)-one}, C15H14Cl2N2O3, which is an oxadiazolone herbicide, the dihedral angle between the planes of the oxadiazolone and benzene rings is 65.84 (6)°.
Gihaeng Kang +3 more
openaire +3 more sources
Crystal structure of ruthenocenecarbonitrile [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2015 The molecular structure of ruthenocenecarbonitrile, [Ru(η5-C5H4C[triple-bond]N)(η5-C5H5)], exhibits point group symmetrym, with the mirror plane bisecting the molecule through the C[triple-bond]N substituent. The RuIIatom is slightly shifted from the η5-C5H4centroid towards the C[triple-bond]N substituent.
Strehler, Frank +2 more
openaire +4 more sources
Crystal structure of fenbuconazole [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2015 In the title compound, C19H17ClN4[systematic name: (RS)-4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile], which is the conazole fungicide fenbuconazole, the dihedral angles between the planes of the central benzene and the terminal chlorophenyl and triazole rings are 32.77 (5) and 32.97 (5)°, respectively.
Gihaeng Kang +3 more
openaire +3 more sources
Acta Crystallographica Section E: Crystallographic Communications, 2020 Three title compounds, namely, 2-(4-chlorobenzyl)-5-[(1H-indol-3-yl)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole, C26H19ClN4S, (I), 2-(4-chlorobenzyl)-6-(4-fluorophenyl)-5-[(1H-indol-3-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazole, C26H18ClFN4S, (II ...
Sadashivamurthy Shamanth +5 more
doaj +1 more source
Crystal Structures of Furazanes
Crystals, 2015 Several nitrogen-rich salts of 3-nitramino-4-nitrofurazane and dinitraminoazoxyfurazane were synthesized and characterized by various spectroscopic methods.
Thomas M. Klapötke +2 more
doaj +1 more source
Crystal structures of (S)-(+)-5-(3-bromo/chloro-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione
Acta Crystallographica Section E: Crystallographic Communications, 2016 In (S)-(+)-5-(3-bromo-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione, C13H15BrN2O3, (I), the hydantoin groups are connected via intermolecular N—H...O hydrogen bonds, forming a terraced sheet structure.
Shigeru Ohba +3 more
doaj +1 more source
Crystal structure prediction based on density functional theory [PDF]
, 2014 The atomic arrangements in solids fundamentally govern the physical properties of a material. In solid state physics, resolving the crystal structure is therefore one of the key approaches when investigating novel materials. However, experimental methods
Amsler, Maximilian Kei
core +1 more source