[PDF] Top 20 Crystal structure of 4 [(3 methylbut 3 enoyl)oxy]phenyl 4 n hexyloxybenzoate
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Crystal structure of 4 [(3 methylbut 3 enoyl)oxy]phenyl 4 n hexyloxybenzoate
... the structure provide evidence that the ester group C2/C1/O1/O2 is in a -conjugation with the benzene ring C2–C7 bonded to the ester group through a C— C bond and is out of -conjugation with the benzene ring C8– ... 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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Crystal structure of (E) 1 (4′ methyl [1,1′ biphenyl] 4 yl) 3 (3 nitrophenyl)prop 2 en 1 one
... some phenyl substituted chalcones have been reported (Garg et ...The crystal structures of related compounds were reported (Shanthi et ...its crystal structure is reported on ... 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
... the N atom and 0.177 (4) to ...listed crystal structures analogous to the title compound have intermolecular N—H O-type hydrogen-bonding ... See full document
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Crystal structure of 3 ({[(morpholin 4 yl)carbonothioyl]sulfanyl}acetyl)phenyl benzoate
... of 3- (2-bromacetyl) phenyl benzoate, a key starting material used in the synthesis of phenylephrine, (R)-3-[1-hydroxy-2- (methylamino)ethyl] phenol, which is a selective 1-adre- nergic receptor ... See full document
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Crystal structure of (E) 4 [N (7 methyl 2 phenylimidazo[1,2 a]pyridin 3 yl)carboximidoyl]phenol
... 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 S hexyl (E) 3 (4 methoxybenzylidene)dithiocarbazate
... The molecule of the title compound is shown in Fig. 1. The Schiff base exists in thione tautomeric form with the dithio- carbazate fragment adopting an EE configuration with respect to the C=N bond of the ... See full document
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Crystal structure of 4 [(2,4 dichlorophenyl)(5 hydroxy 3 methyl 1 phenyl 1H pyrazol 4 yl)methyl] 5 methyl 2 phenyl 2,3 dihydro 1H pyrazol 3 one
... H O and C—H Cl hydrogen bonds link the molecules into chains along [010]. Intermolecular – interactions are observed between the pyrazolone ring and the phenyl ring bound to the pyrazol-5-ol ring system ... See full document
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Crystal structure of (2 methyl 4 phenyl 4H benzo[4,5]thiazolo[3,2 a]pyrimidin 3 yl)(phenyl)methanone
... The molecular structure of the title compound is shown in Fig. 1. The pyrimidine ring [N1/C2/N19/C11—C13] has a envelope conformation with the maximum deviation of 0.1342 (17) Å shown by the flap atom C11. The ... See full document
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N (4 Acetylphenyl) N′ [(4 sydnon 3 yl)phenyl]urea dimethylformamide solvate
... Sydnones are less toxic, but potent, porphyrinogenic and anti- in¯ammatory compounds (Thamotharan, Parthasarathi, Sanyal et al., 2003; Thamotharan, Parthasarathi, Hunnur et al., 2003, and references therein). The present ... See full document
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Crystal structure of 5 chloromethyl N methyl 4 [(4 phenyl 1,2,3 triazol 1 yl)methyl]isoxazolidine 3 carboxamide
... The spectroscopic measurements are consistent with the crystal structure of (2). High-resolution mass spectrometry in positive-ion mode gave an [M + H] + ion of 336.1221 m/z, close to the calculated mass of ... See full document
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Crystal structure of (1S,2R) 2 [(3R,4S) 3 methyl 4 phenyl 1,2,3,4 tetrahydroisoquinolin 2 yl] 1,2 diphenylethanol
... The structure of (I) was confirmed using single crystal X-ray ...a methyl group in position 3, a phenyl substituent in position 4 and a -alcohol substituent at the N ... See full document
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Crystal structure of (E) N {[3 methyl 1 phenyl 5 (1H pyrrol 1 yl) 1H pyrazol 4 yl]methylidene}hydroxylamine
... solve structure: SHELXT (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg & Putz, 2012); software used to prepare material ... See full document
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Crystal structure of chlorido{1 (2,3 dimethyl 5 oxido 1 phenyl 1H pyrazol 2 ium 4 yl κO) 2 [3 methyl 5 oxo 1 phenyl 4,5 dihydro 1H pyrazol 4 ylidene κO]hydrazin 1 ido κN1}copper(II) from laboratory X ray powder data
... gradient approximation (GGA) and PBE exchange correla- tion function (Perdew et al. , 1996). In simulated annealing runs (without H atoms), the total number of varied degrees of freedom (DOF) was eight: three ... See full document
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Crystal structure of N (3 chloro 1 methyl 1H indazol 5 yl) 4 methoxybenzenesulfonamide
... solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012); software used to prepare ... See full document
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N (4 Acetyl 3 methyl 1 phenyl 1H pyrazol 5 yl) N methyl 2 (2 methyl 4 oxo 3,4 dihydroquinazolin 3 yl)benzamide
... The product obtained from 2-acetamido-N-methyl-N-(3-methyl-5-phenyl-1H-pyrazol-5-yl)benzamide by the Bischler– Napieralski reaction (Plescia et al., 1978) was hydrolized ... See full document
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Crystal structure of 4 amino 3 (3 methyl 5 phenyl 1H pyrazol 1 yl) 1H 1,2,4 triazole 5(4H) thione
... solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b); molecular graphics: DIAMOND (Brandenburg & Putz, 2012); software used to prepare material ... See full document
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Crystal structure of 4 methyl N {[1 (4 methylbenzoyl)piperidin 4 yl]methyl}benzamide
... (Fig. 3). 4- Aminomethylpiperidine ...ethyl methyl ketone was added and the mixture was stirred at room ...minutes. 4-Methylbenzoyl chloride ...ethyl methyl ketone, giving the title ... See full document
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Crystal structure of N (4 oxo 2 sulfanylidene 1,3 thiazolidin 3 yl) 2 (thiophen 3 yl)acetamide
... Derivatives of rhodanine (or 2-thioxo-1,3-thiazolidin-4- one) have interesting pharmacological properties, such as the drug Epalrestat, which is an aldose reductase inhibitor used to treat diabetic neuropathy ... See full document
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(Pyridin 4 yl)methyl N′ (3 phenylallylidene)hydrazinecarbodithioate
... 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
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