[PDF] Top 20 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
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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
... of 3-methyl-1-(prop-2-ynyl)-3,4-dihydroquinox- alin-2(1H)-one ...added ethyl azidoacetate ...hexane/ethyl acetate (9/1) ... 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
... using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing that the most significant contributions to the crystal packing are from H 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
... 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
9
Crystal structure and Hirshfeld surface analysis of 1 [(1 butyl 1H 1,2,3 triazol 4 yl)methyl] 3 methylquinoxalin 2(1H) one
... To a solution of 3-methyl-1-(prop-2-ynyl)-3,4-dihydro- quinoxalin-2(1H)-one (0.68 mmol) in ethanol (15 mL) was added 1-azidobutane (1.03 mmol). The reaction mixture ... See full document
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2 (2 Fluoro 5 methylphenyl) 2 oxo 1 (1H 1,2,4 triazol 1 yl)ethyl morpholine 4 carbodithioate
... the crystal structure, molecules are linked into ribbons parallel to the b axis ...(Fig. 2) by C12—H12B···O2 and C13—H13A···N4 hydrogen bonds (Table ...x, 1 − y, 1 − z) = ... See full document
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Crystal structure of (Z) ethyl 2 {5 [(2 benzylidene 3 oxo 2,3 dihydrobenzo[b][1,4]thiazin 4 yl)methyl] 1H 1,2,3 triazol 1 yl}acetate
... an ethyl acetate ...the ethyl acetate side chain, which is directed to the same side of the molecule as the C 6 ring of the fused-ring system, may be ... 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
... 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
9
Crystal structure and Hirshfeld surface analysis of 1 {[2 oxo 3 (prop 1 en 2 yl) 2,3 dihydro 1H 1,3 benzodiazol 1 yl]methyl} 3 (prop 1 en 2 yl) 2,3 dihydro 1H 1,3 benzodiazol 2 one
... acceptors in the dominant C—H O hydrogen bonds; they also appear as blue and red regions corresponding to positive and negative potentials on the HS mapped over electrostatic potential (Spackman et al., 2008; Jayatilaka ... See full document
12
Ethyl 2 {5 [(3 oxo 3,4 dihydro 2H 1,4 benzothiazin 4 yl)methyl] 1H 1,2,3 triazol 1 yl}acetate
... 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
8
Crystal structure of ethyl 2 (5 amino 1 benzenesulfonyl 3 oxo 2,3 dihydro 1H pyrazol 2 yl)acetate
... The structure analysis confirms the formation of compound 4 (Fig. 1). The molecule displays an intramolecular hydrogen bond of the form N—H O S, and the intramolecular contact H12A O2 is also ... See full document
8
Ethyl 2 (4 benzyl 3 methyl 6 oxo 1,6 dihydropyridazin 1 yl)acetate: crystal structure and Hirshfeld surface analysis
... by methyl- and phenyl-C—H O(ring carbonyl) and phenyl-C— H O(ester carbonyl) ...The analysis of the calculated Hirshfeld surface indicates the dominance of H H contacts to the overall ... See full document
10
Crystal structure of ethyl 2 {4 [(5 chloro 1 benzofuran 2 yl)methyl] 3 methyl 6 oxo 1,6 dihydropyridazin 1 yl}acetate
... During recent years, pyridazinones have been a subject of numerous recent studies (Boukharsa et al., 2014) owing to their wide spectrum of pharmacological activities such as antimicrobial (Nagle et al., 2014), ... See full document
9
Ethyl 2 (2 methyl 1H benzimidazol 1 yl)acetate
... of 2-methyl-1H-benzimidazole and ethyl ...the crystal structure, weak intermolecular C—H N hydrogen bonds link the molecules into ... See full document
7
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
... and 2-{5-[(1H-1,2,4-triazol-1-yl)-methyl]-1,3,4-oxadiazol-2-ylthio}- 1-(2,4-dichlorophenyl)ethanone (III) (Xu et ...the crystal of (II), the molecules are ... See full document
9
Crystal structure, Hirshfeld surface analysis and DFT studies of ethyl 2 {4 [(2 ethoxy 2 oxoethyl)(phenyl)carbamoyl] 2 oxo 1,2 dihydroquinolin 1 yl}acetate
... fingerprint plot (Fig. 6a) and those delineated into H H, H O/O H, H C/C H, C C and O C/C O contacts (McKinnon et al., 2007) are illustrated in Figs. 6(b)– (f), respectively, together with their relative contributions to ... See full document
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1 (2 Methyl 5 nitro 1H imidazol 1 yl)propan 2 yl acetate
... 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
7
Crystal structure of ethyl 2 (2 {1 [N (4 bromophenyl) 2 oxo 2 phenylacetamido] 2 tert butylamino 2 oxoethyl} 1H pyrrol 1 yl)acetate
... the crystal structures of pyrrole derivatives has attracted much ...the crystal structure of the racemic title compound, synthesized by a four component one pot reaction, involving ... See full document
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Crystal structure and synthesis of 3 (1H pyrrol 2 yl) 1 (thiophen 2 yl)propanone
... of 1 (Table 2). In (E)-1,3-di(thiophen-2- yl)prop-2-en-1-one (LINFET; Li & Su, 1995), a thiophene ring replaces the pyrrole ring, yielding a di-thiophene-linked ... See full document
8
Crystal structure of 2 oxopyrrolidin 3 yl 4 (2 phenyldiazen 1 yl)benzoate
... together with a – interaction between the two different phenyl rings from the azobenzene moieties of adjacent mol- ecules [distance between centroids of 3.934 (2) A ˚ ] define a chain of corrugated molecules ... See full document
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Crystal structure of a one dimensional looped chain silver(I) coordination polymer: catena poly[[silver(I) bis{μ 4 [1 (5′ isopropyl [1,1′:3′,1′′ terphenyl] 2′ yl) 1H imidazol 2 yl]pyridine κ2N:N′}] nitrate methanol monosolvate monohydrate]
... Ag I atoms, resulting in the formation of a looped-chain structure extending along the [100] direction. Moreover, adjacent looped chains are connected by intermolecular – interactions [centroid-to-centroid ... See full document
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