[PDF] Top 20 (4 Nitrophenyl)methyl 2,3 dihydro 1H pyrrole 1 carboxylate: crystal structure and Hirshfeld analysis
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(4 Nitrophenyl)methyl 2,3 dihydro 1H pyrrole 1 carboxylate: crystal structure and Hirshfeld analysis
... nitrogen, 2,4-lutidine (6.2 ml, 53.634 mmol) was added to this solution. The solution was stirred for 15 min at 273 K. A tri- fluoroacetic anhydride (TFAA) solution (13.2 ml of a 0.8 M solution, 10.56 mmol) in dry ... See full document
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(1R,2S,5R) 5 Methyl 2 [2 (4 nitrophenyl)propan 2 yl]cyclohexyl 2 (4 methoxyphenyl) 2,5 dihydro 1H pyrrole 1 carboxylate: crystal structure and Hirshfeld analysis
... The (1R,2S,5R)-menthyl substrate is important as a chiral source for the synthesis of natural products and, as such, has been found in a number of crystal structures related to (I). Owing to the dictates of the ... See full document
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Crystal structure, DFT calculations and Hirshfeld surface analysis of 3 (4 methylphenyl) 6 nitro 1H indazole
... was performed in conjunction with a triple-x basis set which was designed for the DFT optimization [designated as TZVP (DFT orbital); Godbout et al., 1992]. After obtaining the converged geometry, the harmonic ... 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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Crystal structure and Hirshfeld surface analysis of 5 [(5 nitro 1H indazol 1 yl)methyl] 3 phenyl 4,5 dihydroisoxazole
... the nitro and pendant phenyl ...the crystal, oblique stacks along the a-axis direction are formed by – stacking interactions between the indazole unit and the pendant phenyl rings of adjacent ...bonds. ... See full document
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Ethyl 2 amino 1 (4 fluorophenyl) 5 oxo 4,5 dihydro 1H pyrrole 3 carboxylate: crystal structure and Hirshfeld surface analysis
... Fig. 1, the F atom is displaced by 0.014 (3) A ˚ from the phenyl ring, facilitating it in to take part in a number of intermolecular ...five-membered pyrrole ring is essentially planar with a maximum ... See full document
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Ethyl 2 (4 benzyl 3 methyl 6 oxo 1,6 dihydropyridazin 1 yl)acetate: crystal structure and Hirshfeld surface analysis
... these nitro- gen-rich heterocyclic derivatives arises from the fact that they exhibit a number of promising pharmacological and biological ...the crystal and molecular struc- tures of the the title ... See full document
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Crystal structure and Hirshfeld surface analysis of 3 (4 methoxyphenyl) 1 methyl 4 phenyl 1H pyrazolo[3,4 d]pyrimidine
... the crystal, a combination of C9—H9 N2 hydrogen bonds between aromatic hydrogen atoms and one of the pyrimidine N atoms as well as C12—H12B O1 hydrogen bonds between a methyl H atom and the methoxy O atoms ... See full document
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Crystal structure of 1 [(1 methyl 5 nitro 1H imidazol 2 yl)methyl]pyridinium iodide
... The crystal packing is mostly governed by classical hydrogen bonds ...(Table 1). In this structure, we observe two types of hydrogen bonds, ... 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 and Hirshfeld surface analysis of 1 [(1 butyl 1H 1,2,3 triazol 4 yl)methyl] 3 methylquinoxalin 2(1H) one
... Quinoxaline groups are well known, important nitrogen- containing heterocyclic compounds comprising a benzene and a pyrazine ring fused together. Diversely substituted quinox- alines and their derivatives embedded with ... 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 (E) 1 methyl 2 [2 (2 methoxphenyl)ethenyl] 4 nitro 1H imidazole
... of 4-nitroimidazoles were reported to exhibit antileishmanial, antiamebic and anti-parasitic activities (Bourdin-Trunz, et ...using methyl iodide (Alliouche, et ...and structure determination of some ... See full document
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(E) N′ (2 Chlorobenzylidene) 1 methyl 4 nitro 1H pyrrole 2 carbohydrazide
... the crystal, the three-dimensional supramolecular structure is assembled by N—H O hydrogen bonding. Molecular sheets are formed parallel to (101) in a herringbone arrangement by weak van der Waals ... See full document
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Crystal structure and Hirshfeld analysis of 2 [bis(1 methyl 1H indol 3 yl)methyl]benzoic acid
... 3,6-bis(indol- 3-yl)-1,2,4-triazin-4(1H,4H)-one dimethylformamide solvate (FOLTAC; Garg & Stoltz, 2005), bis(indol-3-yl)(p-tolyl)- methane (HODROH; Krishna et ... 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 ... See full document
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Crystal structure of 3 chloro 1 methyl 5 nitro 1H indazole
... from fused five- and six-membered rings connected to a chlorine atom and to nitro and methyl groups. The indazole system is essentially planar with the largest deviation from the mean plane being 0.007 ... See full document
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Crystal structure of methyl (2Z) 3 (4 chlorophenyl) 2 [(3 methyl 1H indol 1 yl)methyl]prop 2 enoate
... Substituted (Z)-methyl-2-(bromomethyl)-3-phenylacrylate (1 mmol), tetra-butyl-ammonium bromide (0.5 mmol), and 50% NaOH (20 ml) were added to a solution of 3-methyl indole ... See full document
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Crystal structure of (E) N′ benzylidene 1 methyl 4 nitro 1H pyrrole 2 carbohydrazide
... 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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Crystal structure of 3 methyl 1 phenyl 5 (1H pyrrol 1 yl) 1H pyrazole 4 carbaldehyde
... the crystal, weak, pairwise C—H O interactions across centers of symmetry form dimers, which are further associated into corrugated sheets running approximately parallel to (100) via weak C—H N ... See full document
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