[PDF] Top 20 Crystal structure and Hirshfeld surface analysis of 2,4,6,11 tetrakis(4 fluorophenyl) 9 oxa 1,5 diazatricyclo[5 3 1 03 8]undecane
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Crystal structure and Hirshfeld surface analysis of 2,4,6,11 tetrakis(4 fluorophenyl) 9 oxa 1,5 diazatricyclo[5 3 1 03 8]undecane
... The crystal structure features C—H F hydrogen bonds, C—H , N—H and – ...interactions. Hirshfeld surface and two- dimensional fingerprint analysis show that van der Waals interactions ... See full document
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Crystal structure and Hirshfeld surface analysis of (Z) 6 [(2 hydroxy 5 nitroanilino)methylidene] 4 methylcyclohexa 2,4 dien 1 one
... of 2-{[(2-hydroxyphenyl)iminio]methyl}-4-methoxy- phenolate (BALGUR02; Makal et ...2011), 4-bromo-2-{[(2- hydroxy-5-methylphenyl)iminio]methyl}phenolate (EYUSIC; Takjoo et ... See full document
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Crystal structure and Hirshfeld surface analysis of (E) 3 (2 chloro 6 fluorophenyl) 1 (3 fluoro 4 methoxyphenyl)prop 2 en 1 one
... Chalcone derivatives possess a wide range of biological properties such as antibacterial (Jarag et al., 2011), anti- inflammatory (Mukherjee et al., 2001) and anti-oxidant (Arty et al., 2000) activities. As part of our ... See full document
9
Ethyl 2 (4 benzyl 3 methyl 6 oxo 1,6 dihydropyridazin 1 yl)acetate: crystal structure and Hirshfeld surface analysis
... molecular structure of (I), Fig. 1, comprises a central oxopyridazinyl ring connected to an ethylacetate group at the N1 atom, a methyl group at the C2 position and a benzyl residue at the C3 ... See full document
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Crystal structure, Hirshfeld surface analysis and corrosion inhibition study of 3,6 bis(pyridin 2 yl) 4 {[(3aS,5S,5aR,8aR,8bS) 2,2,7,7 tetramethyltetrahydro 5H bis[1,3]dioxolo[4,5 b:4′,5′ d]pyran 5 yl)methoxy]methyl}pyridazine monohydrate
... years. 5-[3,6-Di(pyridin-2-yl)pyridazine-4-yl]-2 0 -deoxyuridine-5 0 -O- triphosphate can be used as a potential substrate for fluores- cence detection and imaging ... See full document
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Crystal structure, Hirshfeld surface analysis and DFT studies of 2 [5 (4 methylbenzyl) 6 oxo 3 phenyl 1,6 dihydropyridazin 1 yl]acetic acid
... 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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Synthesis, crystal structure and Hirshfeld surface analysis of 4 [3 (4 hydroxyphenyl) 4,5 dihydro 1H pyrazol 5 yl] 2 methoxyphenol monohydrate
... usual indications of these intermolecular interactions through the appearance of bright-red spots near participating atoms (Spackman & Jayatilaka, 2009). In addition to the interactions already discussed, faint-red ... See full document
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Crystal structure and Hirshfeld surface analysis of N {2 [(E) (4 methylbenzylidene)amino]phenyl} 2 (5 methyl 1 H pyrazol 3 yl)acetamide hemihydrate
... The title compound was prepared by stirring N-2-amino- phenyl-5-methylpyrazol-3-ylacetamide (0.5 g, 2.2 mmol) with 4-methylbenzaldehyde (1.05 g, 8.8 mmol) in acetone (50 ml) for 3 h. ... See full document
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Crystal structure and Hirshfeld surface analysis of ethyl 2 {[4 ethyl 5 (quinolin 8 yloxymethyl) 4H 1,2,4 triazol 3 yl]sulfanyl}acetate
... with bond lengths of 1.3222 (13), 1.3142 (12) and 1.3205 (12) A ˚ , respectively, while the other C—N bonds in the triazole and quinoline rings (C9—N1, C11—N4 and C12—N4) have single-bond character with bond lengths of ... See full document
9
3 Methyl 1 {(E) [1 (4 methylpyridin 2 yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis
... purification. 2-Acetyl-4-methyl pyridine ...to 4-methyl-3-thiosemicarbazide ...single crystal X-ray diffraction analysis were obtained by recrystallization with absolute ethanol ... See full document
9
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), ... See full document
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(E) 1 (Anthracen 9 yl) 3 (2 chloro 6 fluorophenyl)prop 2 en 1 one: crystal structure and Hirshfeld surface analysis
... The molecular structure of the title chalcone is shown in Fig. 1. The enone moiety (O1/C7–C9) adopts an E conformation with respect to the C7 C8 bond. The anthracene ring system (C10–C23) is twisted at the ... See full document
9
Crystal structure and Hirshfeld surface analysis of 5 [(5 nitro 1H indazol 1 yl)methyl] 3 phenyl 4,5 dihydroisoxazole
... In the title compound (Fig. 1), the indazole portion is planar to within 0.0171 (10) A ˚ (r.m.s. deviation = 0.0095) with atom C6 the furthest from the mean plane. The nitro group is twisted out of this plane by ... See full document
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A Hirshfeld Surface Analysis and Crystal Structure of 2’ [1 (2 Fluoro Phenyl) 1H tetrazol 5 Yl] 4 Methoxy Biphenyl 2 Carbaldehyde
... Figure 4 represents the ORTEP diagram of the title ...(Table 2). And, Figure 5 shows the packing of the molecules are arranged in the fishing net ...in crystal structure ...of ... See full document
8
Crystal structure and Hirshfeld surface analysis of 1 (4 chlorophenyl) 2 {[5 (4 chlorophenyl) 1,3,4 oxadiazol 2 yl]sulfanyl}ethanone
... axis. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H C (18%), H H (17%), H Cl ... See full document
9
Crystal structure and Hirshfeld surface analysis of ethyl 2 [5 (3 chlorobenzyl) 6 oxo 3 phenyl 1,6 dihydropyridazin 1 yl]acetate
... title structure but with different substituents, viz. 4-benzyl-6-p- tolylpyridazin-3(2H)-one (YOTVIN; Oubair et ...ethyl ... See full document
9
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
... (Fig. 2, Table 1). The Hirshfeld surface analysis (Hirshfeld, 1977) of the crystal structure indicates that the contribution of the H H inter- molecular ... See full document
9
5 (4 Chlorophenyl) 3 oxa 4 azatricyclo[5 2 1 02,6]dec 4 ene
... contains two crystallographically independent molecules related by a pseudo-inversion centre at (1.00, 0.65, 0.25). The isoxazoline rings of these two molecules are planar and the structure analysis con®rms ... See full document
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Synthesis and Crystal Structure Determination of 4’,9’,4”,9” Tetra t Butyl 1’,6’,1”,6” Tetramethoxy 2,5 Dithia[3 3] Metabiphenylophane
... the crystal structure of the several cyclo- phanes using an alternative synthetic pathway [7] and cesium ion template effect [8], but the large-sized meta- cyclophanes having ether bridges and ... See full document
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Crystal structure of 5 (4 benzyloxyphenyl) 3 (4 methoxyphenyl) 6 methylcyclohex 2 en 1 one
... the methoxyphenyl rings are linked with a cyclohexene ring. The C25—O1 and C25A—O1A bond lengths of 1.228 (3) and 1.224 (3) A ˚ , respectively, indicate double-bond character. In both molecules, the C—O ... See full document
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