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Crystal structures of (E) 4 [1 (2 carbamothioylhydrazinylidene)ethyl]phenyl acetate and (E) 4 [1 (2 carbamothioylhydrazinylidene)ethyl]phenyl benzoate
... thiosemicarbazone group adopts an extended conformation. The acetate ester (I) crystallizes with two independent molecules in the asymmetric unit. In the benzoate ester (II), the planes of the two aryl rings are ... See full document
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Crystal structure of 3 ({[(morpholin 4 yl)carbonothioyl]sulfanyl}acetyl)phenyl benzoate
... (2-bromacetyl) phenyl benzoate, a key starting material used in the synthesis of phenylephrine, (R)-3-[1-hydroxy-2- (methylamino)ethyl] phenol, which is a selective 1-adre- nergic receptor agonist used ... See full document
79
Crystal structure of ethyl 4 [(1H pyrazol 1 yl)methyl]benzoate
... determined (Dong et al., 2011). As part of this ongoing search for new pyrazole compounds, the title compound was synthesized and its crystal structure is reported herein. In the title compound (Fig. 1), bond ... See full document
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Crystal structure of chlorido{1 (2,3 dimethyl 5 oxido 1 phenyl 1H pyrazol 2 ium 4 yl κO) 2 [3 methyl 5 oxo 1 phenyl 4,5 dihydro 1H pyrazol 4 ylidene κO]hydrazin 1 ido κN1}copper(II) from laboratory X ray powder data
... Derivatives of 3-methyl-1-phenyl-4-hydrazopyrazolin-5-one and their metal complexes are well known dyes and possess a wide spectrum of biological activity (Wiley & Wiley, 2008; Liu et al., 2007; Hallas & ... See full document
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Crystal structure of 2 oxopyrrolidin 3 yl 4 (2 phenyldiazen 1 yl)benzoate
... Experimental . X-ray crystallographic data for I were collected from a single crystal sample, which was mounted on a loop fiber. Data were collected using a Bruker Venture diffractometer equipped with a Photon 100 ... See full document
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Crystal structure of 4 [(2E) 3 (4 methoxyphenyl)prop 2 enoyl]phenyl benzoate
... and attached C=C grouping are disordered over two sets of sites in a 0.823 (5):0.177 (5) ratio. The dihedral angles between the central benzene ring and the pendant phenyl and methoxybenzene ring (major ... See full document
243
Crystal structures of 2 (benzenecarbothioyloxy)ethyl benzenecarbothioate and 2 (benzenecarbothioyloxy)ethyl benzoate
... Geometry . All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, ... See full document
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Crystal structures of bis[2 (pyridin 2 yl)phenyl κ2N,C1]rhodium(III) complexes containing an acetonitrile or monodentate thyminate(1−) ligand
... In the crystal of the acetonitrile complex 1, there are no remarkable intermolecular hydrogen bonds. As similar to the Ir III analog (Blasberg et al., 2011), there are weak C—H Cl hydrogen bonds (Table 1), which ... See full document
292
Crystal structure of 5 (furan 2 yl) N phenyl 1,3,4 oxadiazol 2 amine
... For heterocyclic ligands that form metal complexes, see: Tarafder et al. (2001); Ali & Ali (2007); Singh et al. (2007); Zhao et al. (2007); Zhang et al. (2007); Amin et al. (2004). For applications in medicine and ... See full document
71
Polymorphism of 2 (5 benzyl 6 oxo 3 phenyl 1,6 dihydropyridazin 1 yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses
... show the presence of O—H O interactions with neigh- bouring molecules in (I) (Fig. 6a) and (II) (Fig. 7a), respec- tively. The presence of red and blue triangles on the shape- index map [Fig. 6b (I) and 7b (II)] are ... See full document
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4 Bromo 2 (diethoxymethyl)phenyl benzoate
... Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of ... See full document
26
Crystal structure, Hirshfeld surface analysis and DFT studies of 2 [5 (4 methylbenzyl) 6 oxo 3 phenyl 1,6 dihydropyridazin 1 yl]acetic acid
... six structures similar to the title compound, but with different substituents on the pyridazine ...these structures are similar to the title compound, Table ... See full document
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Crystal structure and Hirshfeld surface analysis of ethyl 2 [5 (3 chlorobenzyl) 6 oxo 3 phenyl 1,6 dihydropyridazin 1 yl]acetate
... two structures containing a similar pyridazinone moiety as in the title structure but with different substituents, ...the crystal structure of YOTVIN, the molecules are connected two-by-two through N—H O ... See full document
94
3 (2 Bromoacetyl)phenyl benzoate
... Geometry . All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in ... See full document
36
Crystal structures of (E) 3 (furan 2 yl) 2 phenyl N tosylacrylamide and (E) 3 phenyl 2 (m tolyl) N tosylacrylamide
... compound (I). The principal difference in the conformation of this molecule with respect to that of compound (I) is the dihedral angle involving the pyran ring and the adjacent aromatic ring, a phenyl ring in (I) ... See full document
93
Crystal structure of 2 (diphenylphosphanyl)phenyl 4 (hydroxymethyl)benzoate
... Benzoate functionalized 2-(diphenylphosphano)phenol derivatives are important starting materials for various labeling purposes using the traceless Staudinger Ligation (Mamat et al., 2009). 4-(Halomethyl) and ... See full document
137
Crystal structures and Hirshfeld surface analyses of 4 benzyl 6 phenyl 4,5 dihydropyridazin 3(2H) one and methyl 2 [5 (2,6 dichlorobenzyl) 6 oxo 3 phenyl 1,4,5,6 tetrahydropyridazin 1 yl]acetate
... For the preparation of compound (I), sodium hydroxide (0.5 g, 3.5 mmol) was added to a solution (0.15 g, 1 mmol) of 6-phenyl-4,5-dihydropyridazin-3(2H)-one and benzaldehyde (0.11 g, 1 mmol) in 30 ml of ethanol. ... See full document
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Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of methyl 4 [3,6 bis(pyridin 2 yl)pyridazin 4 yl]benzoate
... and crystal structures, along with the Hirshfeld surface analysis, the intermolecular interaction energies and the density func- tional theory (DFT) computational calculations carried out ... See full document
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Crystal structure of N1 phenyl N4 [(quinolin 2 yl)methylidene]benzene 1,4 diamine
... Geometry . All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of ... See full document
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Design, synthesis, toxicity estimation and molecular docking studies of N-(Furan-2-yl)-1-(5-substituted) phenyl-1,3,4-oxadiazol-2-yl) methanimine as antitubercular agents
... parasubstituted phenyl system of the present scaffold was found to make good binding interaction towards the active site of the enzyme with a close proximity to the ... See full document
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