[PDF] Top 20 4 Benzyl 1 (4 nitrophenyl) 1H 1,2,3 triazole: crystal structure and Hirshfeld analysis
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4 Benzyl 1 (4 nitrophenyl) 1H 1,2,3 triazole: crystal structure and Hirshfeld analysis
... 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 structure of 3 [4 (1H imidazol 1 yl)phenyl] 2 (4 nitrophenyl)prop 2 enenitrile
... 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 1 (4 fluorophenyl) 4 (4 methoxyphenyl) 1H 1,2,3 triazole
... 1,2,3-Triazoles are an important class of organic compounds which have become prominent in recent years as superbly versatile five membered nitrogen heterocycles. The 1,2,3-triazole family exhibit a broad spectrum ... See full document
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4 (4 Acetyl 5 methyl 1H 1,2,3 triazol 1 yl)benzonitrile: crystal structure and Hirshfeld surface analysis
... There are four closely related compounds in the literature whereby the cyano group of (I) is replaced by chloride and bromide, which are isostructural (Zeghada et al., 2011), methyl (El-Hiti et al., 2017) and ... See full document
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Crystal structure of 4 ({(1E,2E) 3 [3 (4 fluorophenyl) 1 isopropyl 1H indol 2 yl]allylidene}amino) 1H 1,2,4 triazole 5(4H) thione
... methene C=C [1.342 (2) and 1.335 (2) A ˚ in molecules A and B, respectively] and the acyclic N=C bonds [1.283 (2) and 1.281 (2) A ˚ in molecules A and B, respectively]. The indole rings are ... See full document
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Methyl 2 benzyl 5 [1 (4 methoxyphenyl) 4 oxo 3 phenylazetidin 2 yl] 4 nitro 3 phenylpyrrolidine 2 carboxylate
... An extensive use of common β-lactam antibiotics, such as penicillin and cephalosporins, in medicine has resulted in an increasing number of resistant bacteria through mutation and β-lactamase gene transfer. The ... See full document
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Crystal structure of 1 methyl 2 [(E) 2 (4 methylphenyl)ethenyl] 4 nitro 1H imidazole
... molecular structure of (I) is shown in ...The crystal packing can be described as double zig-zag layers parallel to (100) ...(Fig. 2) which are stabilized by weak C— H···N and C—H···O hydrogen ... See full document
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3 Methyl 1 {(E) [1 (4 methylpyridin 2 yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis
... Thiosemicarbazones (TSCs) are thiourea derivatives that form versatile ligands containing mixed hard–soft, nitrogen–sulfur donor atoms. TSC and its derivatives have attracted consid- erable attention due to their ... See full document
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Crystal structure and Hirshfeld surface analysis of ethyl 2 {4 [(3 methyl 2 oxo 1,2 dihydroquinoxalin 1 yl)methyl] 1H 1,2,3 triazol 1 yl}acetate
... To a solution of 3-methyl-1-(prop-2-ynyl)-3,4-dihydroquinox- alin-2(1H)-one (0.65 mmol) in ethanol (20 mL) was added ethyl azidoacetate (1.04 mmol). The mixture was stirred under reflux ... See full document
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Crystal structure, DFT calculations and Hirshfeld surface analysis of 3 (4 methylphenyl) 6 nitro 1H indazole
... aromatic 1H and 2H-indazoles are well recognized for their anti-hypertensive and anti-cancer properties while other indazole derivatives are a versatile class of compounds that have found use in biology, catalysis ... See full document
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Crystal structure and Hirshfeld surface analysis of (E) 2 [1 hydroxy 2 (pyridin 2 yl)ethyl] 4 [2 (4 methoxyphenyl)diazen 1 yl]phenol
... the 4-[(4-methoxyphenyl)diazenyl]phenol skeleton gave 14 ...2011), 2-hydroxy-5-[(E)-(4-methoxyphenyl)diazenyl]benzoic acid (FUGYIP; Basu Baul et ...2000), 4-[(E)-(4-methoxy- ... See full document
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Crystal structure, Hirshfeld surface analysis and DFT studies of 1 benzyl 3 [(1 benzyl 1H 1,2,3 triazol 5 yl)methyl] 2,3 dihydro 1H 1,3 benzodiazol 2 one monohydrate
... and crystal structures of the title compound along with the results of the Hirshfeld surface analysis and the density functional theory (DFT) computational calculations carried out at the B3LYP/6–311 ... See full document
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Crystal structure and Hirshfeld surface analysis of 5 [(5 nitro 1H indazol 1 yl)methyl] 3 phenyl 4,5 dihydroisoxazole
... A search of the Cambridge Structural Database (CSD, version 5.39, updates August 2018; Groom et al., 2016) for the 1- methyl-5-nitro-1H-indazole skeleton yielded six hits. In all of these compounds, ... See full document
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Crystal structure and Hirshfeld surface analysis of 1 (4 bromophenyl) 2 {[5 (pyridin 3 yl) 1,3,4 oxadiazol 2 yl]sulfanyl}ethan 1 one
... solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for ... See full document
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Synthesis and antimycobacterial evaluation of new 1-substituted benzyl-4-(1-phenyl-3-substituted phenyl-1H-pyrazol-4-yl)-1H-1,2,3-triazole Derivatives
... of 1-substituted benzyl-4-(1-phenyl-3-substituted phenyl-1H-pyrazol-4-yl)-1H-1,2,3-triazole derivatives, 5a-k have been ...The structure of the ... See full document
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4 [(1 Benzyl 1H 1,2,3 triazol 4 yl)methoxy]benzene 1,2 dicarbonitrile: crystal structure, Hirshfeld surface analysis and energy minimization calculations
... 1,2-dicarbonitrile residue are almost co-planar with a r.m.s. deviation of 0.041 A ˚ ; the maximum and minimum deviations are 0.085 (2) and 0.038 (2) A ˚ for atoms C10 and C12, respectively. Within the ... See full document
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S Benzyl 3 [1 (6 methylpyridin 2 yl)ethylidene]dithiocarbazate: crystal structure and Hirshfeld surface analysis
... the crystal, phenyl-C—H S(thione), methylene-C—H (pyridyl), methylene- and phenyl-C—H (phenyl) contacts connect molecules into supramolecular layers propagating in the bc plane; the layers stack along the a axis ... See full document
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Synthesis, crystal structure and Hirshfeld surface analysis of 4 [3 (4 hydroxyphenyl) 4,5 dihydro 1H pyrazol 5 yl] 2 methoxyphenol monohydrate
... the Hirshfeld surface analysis, enrichment ratios (ER, Table 2) were calculated by comparing the contacts in the crystal with those computed as if all types of contact have the same ... See full document
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Crystal structure of 3 (adamantan 1 yl) 4 (4 chlorophenyl) 1H 1,2,4 triazole 5(4H) thione
... the crystal packing (Fig. 2), the molecules are linked by intermolecular N3–H1N3···S1 hydrogen bonding interactions forming chains extending along along the c axis ...The crystal packing is further ... See full document
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Crystal structure of 3 O benzyl 4(R) C (1 benzyl 1H 1,2,3 triazol 4 yl) 1,2 O isopropylidene α D erythrofuranose
... A search of the Cambridge Structural Database (Version 5.36; Groom & Allen, 2014) for substituted 3a,5,6,6a-tetrahydro- furo[2,3-d][1,3]dioxoles gave 485 hits (excluding organomet- allics). Three of them are ... See full document
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