[PDF] Top 20 Crystal structure of 1 {1 [2 (phenylselanyl)phenyl] 1H 1,2,3 triazol 4 yl}cyclohexan 1 ol
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Crystal structure of 1 {1 [2 (phenylselanyl)phenyl] 1H 1,2,3 triazol 4 yl}cyclohexan 1 ol
... 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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2 (2,4 Dichlorophenyl) 1 (1H 1,2,4 triazol 1 yl)hexan 2 ol (hexaconazole)
... An important aspect in the rational design of bioactive mol- ecules involves relating chemical structure to biological activity (Lewis et al., 1991). The conformation of the molecule is found to in¯uence the ... See full document
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Crystal structure of 1 [2 (4 chlorophenyl) 4,5 diphenyl 1H imidazol 1 yl]propan 2 ol
... with phenyl substituents at the 4- and 5- positions, a methylene group at N1 and a benzene ring at C2 yielded 33 hits with the closest matches to the title compound being the related alcohol derivatives ... See full document
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2 (1H Benzotriazol 1 yl) 1 phenyl 2 (1H 1,2,4 triazol 1 yl)ethanone cyclohexane hemisolvate
... chloroform solution filtered. It was cooled with ice–water, and then an acetone solution (10 ml) of benzotriazole (2.4 g, 0.02 mol) and triethylamine (2.8 ml, 0.02 mol) were added with stirring. The mixture was stirred ... See full document
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Crystal structure of 1 (1 methyl 1H imidazol 2 yl) 4 phenyl 1H 1,2,3 triazole dihydrate
... The 2-azido-1-methylimidazole was prepared by lithiation and azidation of 1-methylimidazole followed by fragmentation of the resulting tosyltriazenyl salt according to the literature (Zanirato & ... See full document
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Crystal structure of 1 (2,4 dimethylphenyl) 2 (4 trimethylsilyl 1H 1,2,3 triazol 1 yl)ethanone
... The crystal structure of the compound features C—H···O and C—H···N ...(Figure 2). The crystal structure also features C —H···π interaction of the type C12B—H12F···Cg (Cg is the centroid ... See full document
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Ethyl 2 [1 (3 methylbutyl) 4 phenyl 1H 1,2,3 triazol 5 yl] 2 oxoacetate
... 1,4,5-Trisubstituted 1,2,3-triazoles are important compounds due to their diverse biological activities including antibacterial, antifungal, antimalarial, antiviral, anticonvulsant, antidepressant and anticancer (Siddiqi ... See full document
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Crystal structure of 1 [2 (4 nitrophenyl) 4,5 diphenyl 1H imidazol 1 yl]propan 2 ol
... the crystal, classical O112—H11O N23 and O212— H21O N13 hydrogen bonds, Table 1, bolstered by weaker C155—H155 O22, C242—H242 O112 and C253— H253 O13 hydrogen bonds link type 1 and type 2 ... See full document
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Ethyl 2 (4 phenyl 1H 1,2,3 triazol 1 yl)acetate
... + 2] cycloaddition reaction between azide and acetylene ...chemical structure of (I), has now been confirmed by single-crystal X-ray diffraction ... See full document
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1 (4 Phenyl 3 thioxo 1,2,4 triazolidin 1 yl) 2 (1H 1,2,4 triazol 1 yl)ethanone
... the crystal structure determination of the title compound, (I), has been carried out in order to elucidate the stereochemistry and the molecular conforma- ... See full document
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Diaquabis{3 [4 (1H imidazol 1 yl)phenyl] 5 (pyridin 2 yl κN) 1H 1,2,4 triazol 1 ido κN1}zinc
... the crystal engineering of coordination polymers owing to their ability to provide diverse assemblies with fascinating topological structures and material properties ( Han et ...Zn 2+ ion, two Ippyt ligands ... See full document
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(Z) 3 (2,6 Dichlorophenyl) 1 (pyridin 3 yl) 2 (1H 1,2,4 triazol 1 yl)prop 2 en 1 one
... Fig. 1 shows the molecular structure of (I), which contains three planar rings: the pyridinyl ring (p1), the triazole ring (p2) and the substituted phenyl ring ...the crystal structure, ... See full document
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Crystal structure and synthesis of 3 (1H pyrrol 2 yl) 1 (thiophen 2 yl)propanone
... In nature, pyrroles are often present in tetrapyrrolic ring systems such as heme and chlorophyll. These macrocyclic compounds carry out a multitude of biochemical reactions and are responsible for oxygen transport in the ... See full document
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2 (2,3 Dimethylphenoxy) 1 (pyridin 2 yl) 2 (1H 1,2,4 triazol 1 yl)ethanone
... 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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Crystal structure of 2 oxopyrrolidin 3 yl 4 (2 phenyldiazen 1 yl)benzoate
... Cyclic derivatives of -aminobutyric acid, GABA, are still constituting a very promising avenue for developing new drug- molecules for improving neuronal, vascular and general cognitive functions (Malykh et al., 2010). In ... See full document
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2 [2 (5 Bromothiophen 2 yl) 4,5 diphenyl 1H imidazol 1 yl] 3 phenylpropan 1 ol
... C7 0.0429 (11) 0.0438 (11) 0.0419 (11) 0.0059 (10) 0.0007 (9) −0.0027 (10) C8 0.0394 (12) 0.0403 (10) 0.0438 (11) −0.0012 (9) −0.0037 (9) −0.0025 (9) C9 0.0522 (12) 0.0398 (10) 0.0416 (10) 0.0021 (10) −0.0035 (10) ... See full document
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1 [1 (2,1,3 Benzoxadiazol 5 ylmethyl) 1H 1,2,3 triazol 4 yl]hexan 1 one
... For the synthesis of similar benzoxadiazole compounds, see: Key & Cairo (2011); Li et al. (2010). For two related benzoxadiazole-triazole structures, see: Key, Cairo & Ferguson (2012); Key, Cairo & McDonald ... See full document
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The effect of the fused ring substituent on anthracene chalcones: crystal structural and DFT studies of 1 (anthracen 9 yl) 3 (naphthalen 2 yl)prop 2 en 1 one and 1 (anthracen 9 yl) 3 (pyren 1 yl)prop 2 en 1 one
... A mixture of 9-acetylanthracene (0.5 mmol) and 2-napthal- dehyde or 1-pyrenecarboxaldehyde (0.5 mmol) for compounds (I) and (II), respectively, was dissolved in methanol (20 ml). A catalytic amount of NaOH ... See full document
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1 (4,5 Dihydro 3 p tolyl 1H pyrazol 1 yl) 2 (1,2,4 triazol 1 yl)ethanone
... N1 0.0435 (10) 0.0615 (10) 0.0372 (9) 0.0087 (8) 0.0061 (8) −0.0015 (8) N2 0.0462 (10) 0.0551 (10) 0.0384 (9) 0.0057 (8) 0.0050 (8) −0.0037 (7) N3 0.0473 (10) 0.0566 (10) 0.0360 (9) −0.0027 (8) 0.0053 (8) −0.0028 (8) N4 ... See full document
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1 [(Pyridin 3 yl)(pyrrolidin 1 yl)methyl]naphthalen 2 ol
... C6 0.0420 (16) 0.0414 (15) 0.0502 (16) −0.0009 (13) −0.0074 (13) 0.0022 (13) C7 0.055 (2) 0.0502 (18) 0.067 (2) 0.0037 (15) −0.0013 (16) 0.0044 (16) C8 0.057 (2) 0.062 (2) 0.094 (3) ... See full document
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