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[PDF] Top 20 Crystal structure of methyl (E) 4 [2 (8 hy­dr­oxy­quinolin 2 yl)vin­yl]benzoate

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Crystal structure of methyl (E) 4 [2 (8 hy­dr­oxy­quinolin 2 yl)vin­yl]benzoate

Crystal structure of methyl (E) 4 [2 (8 hy­dr­oxy­quinolin 2 yl)vin­yl]benzoate

... 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 (±) (4RS,5RS,7SR) 4 [(1RS,2RS,3RS,6RS) 3 benzo­yl­oxy 2 (2 hy­dr­oxy­ethyl) 6 meth­­oxy­meth­­oxy 2 methyl­cyclo­hex­yl] 8,10,10 tri­methyl 2 oxo 1,3 dioxa­spiro­[4 5]dec 8 en 7 yl benzoate benzene monosolvate

Crystal structure of (±) (4RS,5RS,7SR) 4 [(1RS,2RS,3RS,6RS) 3 benzo­yl­oxy 2 (2 hy­dr­oxy­ethyl) 6 meth­­oxy­meth­­oxy 2 methyl­cyclo­hex­yl] 8,10,10 tri­methyl 2 oxo 1,3 dioxa­spiro­[4 5]dec 8 en 7 yl benzoate benzene monosolvate

... In the Cambridge Structural Database (CSD, Version 5.35, November 2013; Groom & Allen, 2014), four compounds possessing a core of 6,6,8-trimethyl-1,3-dioxaspiro[4.5]dec-7- ene are found (Fig. 5). These include its ... See full document

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Crystal structure of methyl 2 hy­dr­oxy 5 [(4 oxo 4,5 di­hydro 1,3 thia­zol 2 yl)amino]benzoate

Crystal structure of methyl 2 hy­dr­oxy 5 [(4 oxo 4,5 di­hydro 1,3 thia­zol 2 yl)amino]benzoate

... A solution of methyl 5-[(chloroacetyl)amino]-2-hydroxybenzoate (2.3 g, 9.5 mmol) and ammonium thiocyanate (1.5 g, 19.7 mmol) in 40 ml ethanol was refluxed for 3 h and allowed to stand overnight. The mixture ... See full document

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Crystal structure of (E) 2 [(4 hy­dr­oxy­benzyl­­idene)aza­nium­yl]benzoate

Crystal structure of (E) 2 [(4 hy­dr­oxy­benzyl­­idene)aza­nium­yl]benzoate

... O1 0.0702 (15) 0.0380 (12) 0.0324 (12) 0.0036 (11) −0.0144 (11) 0.0019 (9) O2 0.0942 (19) 0.0323 (12) 0.0474 (14) 0.0034 (13) −0.0117 (13) −0.0025 (11) O3 0.0679 (16) 0.0367 (13) 0.0419 (13) −0.0001 (11) −0.0187 (11) ... 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

Crystal structure and Hirshfeld surface analysis of ethyl 2 {[4 ethyl 5 (quinolin 8 yloxymeth­yl) 4H 1,2,4 triazol 3 yl]sulfan­yl}acetate

... mixture of compound (2) (0.01 mol) and hydrazine hydrate (0.02 mol) in ethanol was refluxed for 1 h. After cooling, the resulting solid was washed, dried and recrystallized from ethanol to afford ... See full document

9

The crystal structure of zwitterionic 2 {[(4 imin­iumyl 3 methyl 1,4 di­hydro­pyridin 1 yl)meth­yl]carbamo­yl}benzoate hemihydrate

The crystal structure of zwitterionic 2 {[(4 imin­iumyl 3 methyl 1,4 di­hydro­pyridin 1 yl)meth­yl]carbamo­yl}benzoate hemihydrate

... 1983), 2-(phenylcarbamoyl)benzoic acid (Smith et al., 1983), N-(4- chlorophenyl)phthalamic acid (Mornon, 1970), 2-(pyridin-4- ylcarbamoyl)benzoate 4-aminopyridinium monohydrate ... See full document

13

Crystal structure of methyl 2 (7 hy­dr­oxy 2 oxo 2H chromen 4 yl)acetate

Crystal structure of methyl 2 (7 hy­dr­oxy 2 oxo 2H chromen 4 yl)acetate

... 2-(7-Hydroxy-2-oxo-2H-chromen-4-yl) acetic acid (220 mg, 1 mmol) was dissolved in methanol (15 ml), and a few drops of sulfuric acid were added. The resulting reaction mixture was refluxed for ... See full document

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Crystal structure of cis 1 (2 methyl 1,2,3,4 tetra­hydro­quinolin 4 yl)azepan 2 one

Crystal structure of cis 1 (2 methyl 1,2,3,4 tetra­hydro­quinolin 4 yl)azepan 2 one

... the structure adopts a half chair conformation with the atom C3 deviating by ...The structure exhibits weak intermolecular hydrogen bonds of the type C—H···O and ... See full document

9

Crystal structure analysis of [5 (4 meth­­oxy­phen­yl) 2 methyl 2H 1,2,3 triazol 4 yl](thio­phen 2 yl)methanone

Crystal structure analysis of [5 (4 meth­­oxy­phen­yl) 2 methyl 2H 1,2,3 triazol 4 yl](thio­phen 2 yl)methanone

... the crystal, the molecules form two types of centrosym- metric, weak to very weak C—H N hydrogen-bonding dimeric motifs (Table 1) involving the methyl hydrogen H15C (sp 3 ) of the methoxy group with the ... See full document

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Crystal structure of 4 methyl 2 oxo 2H chromen 7 yl ferrocene­carboxyl­ate

Crystal structure of 4 methyl 2 oxo 2H chromen 7 yl ferrocene­carboxyl­ate

... mmol), 1-ethyl-3-(dimethylaminopropyl)carbodimide hydrochloride (EDCI) (0.89 g, 4.5 mmol) and N , N -dimethylamino- pyridine (DMAP) (0.26 g, 2.2 mmol) were added into a 50 ml round bottom flask. Then the reaction mixture ... See full document

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Synthesis and crystal structure of ((E) {2 [(E) (4 hy­droxynaphthalen 1 yl)methyl­­idene]hydrazin 1 yl}(methyl­sulfan­yl)methyl­­idene)azanium hydrogen sulfate monohydrate

Synthesis and crystal structure of ((E) {2 [(E) (4 hy­droxynaphthalen 1 yl)methyl­­idene]hydrazin 1 yl}(methyl­sulfan­yl)methyl­­idene)azanium hydrogen sulfate monohydrate

... ene)isothiosemicarbazidium iodide monohydrate (JIHZUV; Bourosh et al., 1990) and 8-quinolinealdehyde S-methylthio- semicarbazone hydrochloride dihydrate (RUJXOK; Botosh- ansky et al. , 2009). Only the coordinates ... See full document

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Crystal structure and metabolic activity of 4 (thien 2 yl) 2 methyl 5 oxo 1,4,5,6,7,8 hexa­hydro­quinoline 3 carb­­oxy­lic acid eth­­oxy­carbonyl­phenyl­methyl­ester

Crystal structure and metabolic activity of 4 (thien 2 yl) 2 methyl 5 oxo 1,4,5,6,7,8 hexa­hydro­quinoline 3 carb­­oxy­lic acid eth­­oxy­carbonyl­phenyl­methyl­ester

... the 2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid fragment gave nine hits: BEZWEK (Kidwai et ...position 4 of the 1,4-dihydropyridine ring, the most closely related structures found ... See full document

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Crystal structure of (–) methyl (R,E) 4 [(2R,4R) 2 amino 2 tri­chloro­methyl 1,3 dioxolan 4 yl] 4 hy­dr­oxy 2 methyl­but 2 enoate

Crystal structure of (–) methyl (R,E) 4 [(2R,4R) 2 amino 2 tri­chloro­methyl 1,3 dioxolan 4 yl] 4 hy­dr­oxy 2 methyl­but 2 enoate

... sp 2 configuration for WEKWOY and WAXBEE, while they were refined assuming an sp 3 configuration of the N atom for LIBHIO and LAGMAK, as in the present ...trichloro- methyl group, whereas those in the title ... See full document

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The crystal structures of two new coumarin derivatives: 2 (4 {2 [(2 oxo 2H chromen 4 yl)­­oxy]acet­yl}piperazin 1 yl)acetamide and N (2,4 di­meth­­oxy­benz­yl) 2 [(2 oxo 2H chromen 4 yl)­­oxy]acetamide

The crystal structures of two new coumarin derivatives: 2 (4 {2 [(2 oxo 2H chromen 4 yl)­­oxy]acet­yl}piperazin 1 yl)acetamide and N (2,4 di­meth­­oxy­benz­yl) 2 [(2 oxo 2H chromen 4 yl)­­oxy]acetamide

... Compound (II) N,N-Diisopropylethylamine (DIPEA; 1.82 g, 3.1 equiv.) was added to a mixture of 2-(2-oxo-2H- chromen-4-yloxy)acetic acid (1.0 g, 1.0 equiv.), 1-ethyl-3-(3- ... See full document

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Methyl 3,5 bis­­[(3 chloro­pyrazin 2 yl)­­oxy]benzoate

Methyl 3,5 bis­­[(3 chloro­pyrazin 2 yl)­­oxy]benzoate

... The bond distances and angles in the title compound (Fig. 1) agree very well with the corresponding bond distances and angles reported in a closely related compound (Nasir et al., 2010). In the title compound, the ... See full document

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Crystal structure of (E) 1 {2 [(5,5 di­methyl 1,3,2 dioxaphosphinan 2 yl)­­oxy]naphthalen 1 yl} N (4 fluoro­phen­yl)methanimine

Crystal structure of (E) 1 {2 [(5,5 di­methyl 1,3,2 dioxaphosphinan 2 yl)­­oxy]naphthalen 1 yl} N (4 fluoro­phen­yl)methanimine

... naphthalene-2-ol in 10 ml of dry dichloromethane. The mixture was refluxed under a slow flow of nitrogen for 4 h. The solvent was reduced to 5 ml under vacuum and 3 ml of dry n-hexane were added to afford ... See full document

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Crystal structure of 4 (pyrazin 2 yl)morpholine

Crystal structure of 4 (pyrazin 2 yl)morpholine

... In the crystal, the molecules form sheets parallel to the b axis supported by non-classical hydrogen-bonding interactions (Fig. 2, Table 1). In each molecule, the pyrazine ring is tilted slightly out of the ... See full document

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Crystal structure and Hirshfeld surface analysis of di­ethyl 2 [4 (4 fluoro­phen­yl) 2 methyl 4 oxobutan 2 yl]malonate

Crystal structure and Hirshfeld surface analysis of di­ethyl 2 [4 (4 fluoro­phen­yl) 2 methyl 4 oxobutan 2 yl]malonate

... stabilized by an intramolecular C—H O hydrogen bonds and C—H interaction (Fig. 1, Table 1) and short O3 O7 contact [3.007 (2) A ˚ ]. All bonds between sp 3 -hybridized atoms adopt staggered conformations, thus ... See full document

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Methyl 2 benz­yl­oxy 6 (2 methyl 1,3 dioxolan 2 yl)benzoate monohydrate

Methyl 2 benz­yl­oxy 6 (2 methyl 1,3 dioxolan 2 yl)benzoate monohydrate

... solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: ... See full document

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Crystal Structure of ZnCl3 (Methyl (2 Pyridin 2 yl Ethyl) Ammonium)

Crystal Structure of ZnCl3 (Methyl (2 Pyridin 2 yl Ethyl) Ammonium)

... single crystal X-ray diffraction. In the crystal structure of the title compound, the Zn(II) ion is tetracoordinated to one nitrogen atom of the monodentate cationic ligand and to three chlorine ... See full document

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