Results 11 to 20 of about 3,520,724 (372)
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)°.
Tae Ho Kim +3 more
openaire +4 more sources
Uncovering a Vital Band Gap Mechanism of Pnictides
Advanced Science, 2022 Pnictides are superior infrared (IR) nonlinear optical (NLO) material candidates, but the exploration of NLO pnictides is still tardy due to lack of rational material design strategies.
Jindong Chen +8 more
doaj +1 more source
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.
Hyunjin Park +3 more
openaire +4 more sources
Crystal structure of mandipropamid [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2015 In the title compound, C23H22ClNO4(systematic name: (RS)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-ynyloxy)acetamide), an amide fungicide, the dihedral angle between the chlorobenzene and benzene rings is 65.36 (6)°.
Hyunjin Park +3 more
openaire +4 more sources
Crystal structure of fluroxypyr [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2016 In the title pyridine herbicide {systematic name: 2-[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetic acid}, C7H5Cl2FN2O3, the mean plane of the carboxylic acid substituent and the pyridyl ring plane subtend a dihedral angle of 77.5 (1)°. In the crystal, pairs of O—H...O hydrogen bonds form inversion dimers withR22(8) ring motifs.
Hyunjin Park +3 more
openaire +4 more sources
(2-Hydroxyphenyl)(4,2′:4′,4′′-terpyridin-6′-yl)methanone
IUCrData, 2020 The title compound, C22H15N3O2, can be described as a ketone with a phenol substituent and a terpyridine ligand coordinated to the carbonyl group. The three six-membered rings of the terpyridine ligand are not coplanar.
S. Devika +3 more
doaj +1 more source
Neural Structure Fields with Application to Crystal Structure Autoencoders [PDF]
Communications Materials (2023), 2022 Representing crystal structures of materials to facilitate determining them via neural networks is crucial for enabling machine-learning applications involving crystal structure estimation. Among these applications, the inverse design of materials can contribute to explore materials with desired properties without relying on luck or serendipity.
arxiv +1 more source
Crystal structure of cafenstrole [PDF]
Acta Crystallographica Section E Crystallographic Communications, 2015 The title compound (systematic name:N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide), C16H22N4O3S, is a triazole herbicide. The dihedral angle between the planes of the triazole and benzene ring planes is 88.14 (10)°. In the crystal, C—H...O hydrogen bonds and weak C—H...π interactions link adjacent molecules, forming one-dimensional ...
Jineun Kim +3 more
openaire +3 more sources
Phonon and crystal field excitations in geometrically frustrated rare earth titanates [PDF]
, 2008 The phonon and crystal field excitations in several rare earth titanate pyrochlores are investigated. Magnetic measurements on single crystals of Gd2Ti2O7, Tb2Ti2O7, Dy2Ti2O7 and Ho2Ti2O7 are used for characterization, while Raman spectroscopy and ...
Berthet, P. +7 more
core +11 more sources
Single crystal growth, structure and magnetic properties of Pr2Hf2O7 pyrochlore [PDF]
, 2016 Large single crystals of the pyrochlore Pr2Hf2O7 have been successfully grown by the floating zone technique using an optical furnace equipped with high power Xenon arc lamps.
Balakrishnan, Geetha +6 more
core +2 more sources