Results 31 to 40 of about 49,756 (55)
Structural Dynamics, 2015 Trifluoroacetic acid (TFA) may be the cause of the bottleneck in high resolution structure determination for protein-peptide complexes. Fragment based drug design often involves the use of synthetic peptides which contain TFA (excipient). Our goal was to
Belinda Pastrana-Rios +2 more
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IUCrData, 2016 The title compound, C8H4FNO2, has a single, almost planar, molecule in the asymmetric unit, with the non-H atoms having a mean deviation from planarity of 0.042 Å. Intermolecular N—H...O hydrogen bonds result in infinite chains along [100]. The molecules
James A. Golen, David R. Manke
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Tetraethyl pyrazine-2,3,5,6-tetracarboxylate
IUCrData, 2016 The whole molecule of the title compound, C16H20N2O8, is generated by inversion symmetry. The adjacent carboxylate groups [C(=O)—O—C] are inclined to the pyrazine ring by 72.40 (10) and 19.64 (10)°, and to one another by 68.21 (12)°.
Yi Wang, Helen Stoeckli-Evans
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3-Hydroxy-3-(2-oxo-2,3-dihydro-1H-indol-3-yl)-2,3-dihydro-1H-indol-2-one
IUCrData, 2017 The conformation of the title molecule, C16H12N2O3, is partly determined by an intramolecular C=O...π interaction between one carbonyl group and the five-membered ring of the other indolinone moiety.
Joel T. Mague +4 more
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(E)-1-(5-Methylthiophen-2-yl)-N-(4-nitrophenyl)methanimine
IUCrData, 2019 The title compound, C12H10N2O2S, was synthesized via the acid-catalyzed condensation of 4-nitroaniline and 5-methyl-2-thiophenecarboxaldehyde in a methanol–water solution. The dihedral angle between the benzene and thiophene rings is 54.62 (3)°.
Nilda L. Alicea-Velázquez +1 more
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IUCrData, 2016 The title compound, C26H15BrN4O3·C2H6OS, contains five rings. The indole unit is essentially planar [maximum deviation = 0.0067 (1) Å for the N atom]. The central pyrrole ring makes dihedral angles of 44.1 (2) and 51.3 (2)° with the pendant indole ring ...
Y. AaminaNaaz +3 more
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2-Amino-4-methylpyridinium 2-(3-methylphenyl)acetate
IUCrData, 2016 In the title molecular salt, C6H9N2+·C9H9O2−, the cation is protonated at the pyridine N atom and the anion is deprotonated at the hydroxy O atom. The dihedral angle between the benzene and pyridine rings is 66.58 (10)°.
P. Sivakumar +3 more
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S,S-Diphenyl-N-tosyl sulfone diimine
IUCrData, 2019 In the title compound [systematic name: N-(iminodiphenyl-λ6-sulfanylidene)-4-methylbenzene-1-sulfonamide], C19H18N2O2S2, the configuration around the sulfur atom of the sulfonediimine group is a slightly distorted tetrahedron structure with two S=N bonds
Md. Chanmiya Sheikh +2 more
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IUCrData, 2019 Trinuclear copper–pyrazolate entities are present in various Cu-based enzymes and nanojar supramolecular arrangements. The reaction of copper(II) chloride with pyrazole (pzH) and sodium benzoate (benzNa) assisted by microwave radiation afforded a neutral
Marisol Ledezma-Gairaud +1 more
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IUCrData, 2018 The zirconiumamide complex [(cyclohex-1-enyl)cyclohexylamido]bis(dicyclohexylamido)[methyltris(pentafluorophenyl)borato]zirconium(IV) hexane monosolvate, [Zr{N(C6H11)2}2{N(C6H11)(C6H9)}{BCH3(C6F5)3}]·C6H14, is zwitterionic and bears a Zr+—μ-CH3—B− moiety.
Nils Frerichs +3 more
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