Browsing Makale Koleksiyonu by Language "eng"
Now showing items 1-20 of 4949
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1,4-Bis(methylsulfanyl)naphthalene
(WILEY-BLACKWELL, 2009)The molecule of the title compound, C(12)H(12)S(2), is close to planar, with the methyl C atoms deviating by 0.019 (1) and 0.221 (2) angstrom from the naphthalene mean plane. In the crystal structure, the shortest S center ... -
1-Benzyl-3-[(trimethylsilyl)methyl]benzimidazolium chloride monohydrate
(WILEY-BLACKWELL, 2010)The title compound, C(18)H(23)N(2)Si(+)center dot Cl(-)center dot H(2)O, was synthesized from 1-[(trimethylsilyl)methyl]benzimidazole and benzyl chloride in dimethylformamide. The benzimidazole ring system is approximately ... -
2-(2,2-Dimethoxyethyl)-3-oxo-1,2,3,4,5,6-hexahydro-1,5-methano-7H- azocino[4,3-b]indole
(INT UNION CRYSTALLOGRAPHY, 2007)The title compound, C18H22N2O3, consists of a tetracyclic ring system containing an azocino skeleton with a dimethoxyethyl group as a substituent. The benzene and five-membered rings are nearly coplanar, with a dihedral ... -
2-[2-(2,6-Dichloroanilino)phenyl]-N '-(4-propylcyclohexylidene)acetohydrazide
(WILEY-BLACKWELL, 2010)The asymmetric unit of the title compound, C(23)H(27)Cl(2)N(3)O, contains two crystallographically independent molecules in which the dihedral angles between the benzene rings are 70.1 (3) and 63.8 (3)degrees. In each ... -
2017 update of the Turkish League Against Rheumatism (TLAR) evidence-based recommendations for the management of knee osteoarthritis
(SPRINGER HEIDELBERG, 2018)In a Turkish League Against Rheumatism (TLAR) project, evidence-based recommendations for the management of knee osteoarthritis (OA) was developed for the first time in our country in 2012 (TLAR-2012). In accordance with ... -
3,6,8-Tribromoquinoline
(WILEY-BLACKWELL, 2010)The title molecule, C(9)H(4)Br(3)N, is almost planar, the maximum deviation being 0.110 (1) angstrom. The crystal structure is stabilized by weak aromatic pi-pi interactions [centroid-centroid distance = 3.802 (4) angstrom] ... -
3a,4,10,10b-tetrahydro-2H-furo[2,3-a]carbazol-5(3H)-one
(INT UNION CRYSTALLOGRAPHY, 2007)The asymmetric unit of the title compound, C14H13NO2, contains two independent molecules. In the indole ring system, the benzene and pyrrole rings are nearly coplanar, the dihedral angles being 0.48 (17) and 1.26 (17)degrees. ... -
3D Modeling and Tectonic Interpretation of the Erzincan Basin (Turkey) using Potential Field Data
(UNIV NACIONAL DE COLOMBIA, 2019)Erzincan Basin was investigated using gravity data within the scope of this study. It is also aimed to reveal the discontinuities in the work area as well as the buried discontinuities. Boundary determination filters and ... -
3D MODELLING AND STRUCTURAL INVESTIGATION OF THE CENTRAL VOLCANICS IN SLOVAKIA USING MAGNETIC DATA
(NORTH UNIV BAIA MARE, 2013)The Central volcanics, located in central part of Slovakia, is characterized by intense andesitic volcanic activity that resulted in the formation of stratavolcanoes and dome complexes of Middle and Late Miocene age. The ... -
4-(9-Anthryl)-1-(3-bromophenyl)spiro[azetidine-3,9 '-xanthen]-2-one
(WILEY-BLACKWELL, 2009)In the title molecule, C35H22BrNO2, the four-membered ring of the beta-lactam unit is nearly planar [maximum deviation = 0.003 (3) angstrom] and makes dihedral angles of 87.07 (15), 59.80 (16) and 20.81 (19)degrees, ... -
4-(9-Anthryl)-1-phenylspiro[azetidine-3,9 '-xanthen]-2-one
(INT UNION CRYSTALLOGRAPHY, 2009)The beta-lactam ring of the title compound, C35H23NO2, is nearly planar with a maximum deviation of 0.003 (3) angstrom from the mean plane. It makes dihedral angles of 17.4 (2), 85.22 (17) and 65.39 (16)degrees, respectively, ... -
4-(Methylamino)benzoic acid
(WILEY-BLACKWELL, 2009)The asymmetric unit of the title compound, C8H9NO2, contains three crystallographically independent molecules, which are essentially planar, the carboxyl O atoms deviating by 0.091 (3), 0.101 (2) and 0.164 (3) angstrom ... -
4-{3-[Hydroxy(phenyl)methyl]-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-4-yl}benzenesulfonamide
(WILEY-BLACKWELL, 2010)In the title compound, C(15)H(14)N(4)O(3)S(2), the hydroxy group is disordered over two positions with occupancies of 0.619 (5) and 0.381 (5). The benzene ring attached to the heterocycle makes a dihedral angle of 86.92 ... -
4D-QSAR Study of Some Pyrazole Pyridine Carboxylic Acid Derivatives By Electron Conformational-Genetic Algorithm Method
(BENTHAM SCIENCE PUBL LTD, 2018)Introduction: In the present work, pharmacophore identification and biological activity prediction for 86 pyrazole pyridine carboxylic acid derivatives were made using the electron conformational genetic algorithm approach ... -
5-Fluoro-N '-[(E)-4-methoxybenzylidene]-3-phenyl-1H-indole-2-carbohydrazide
(WILEY-BLACKWELL, 2010)In the title molecule, C(23)H(18)FN(3)O(2), the mean plane of the indole system forms dihedral angles of 44.23 (8) and 14.54 (7)degrees, respectively, with the phenyl and benzene rings. In the crystal, intermolecular N-H ... -
6,8-Dibromoquinoline
(WILEY-BLACKWELL, 2010)The title molecule, C9H5Br2N, is almost planar, with an r.m.s. deviation of 0.027 angstrom. The dihedral angle between the aromatic rings is 1.5 (3)degrees. In the crystal, pi-pi stacking interactions are present between ... -
Ab initio calculations of solvent effects on guanine and thioguanine tautomerism
(NATL INST SCIENCE COMMUNICATION-NISCAIR, 2000)The molecular geometries and the relative energies of the ten most stable tautomers of guanine (G1, G2, G3...etc.) and thioguanine (TG1, TG2, TG3...etc.) have been investigated at the HF/3-21G and HF/6-31G** levels in the ... -
Ab Initio Calculations on some Antiepileptic Drugs such as Phenytoin, Phenbarbital, Ethosuximide and Carbamazepine
(SPRINGER/PLENUM PUBLISHERS, 2017)This research deals with some antiepileptic agents that are used to treat antiepileptic seizures. Stable conformational structures corresponding to potential energy minima for each molecule are determined in the gas phase ... -
Ab initio molecular structure study of alkyl substitute analogues of Alzheimer drug phenserine: structure-activity relationships for acetyl- and butyrylcholinesterase inhibitory action
(ELSEVIER SCIENCE BV, 2005)Considerable experimental evidence suggests that phenserine and some alkyl analogues show inhibitory action against human acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). The electronic structure of the newly ... -
Ab initio study of atmospheric reactions of the hydroxyl radical-water complex (OH-H2O) with saturated hydrocarbons (methane, ethane and propane)
(ELSEVIER SCIENCE BV, 2005)Weakly bound reactant and product complexes in the hydrogen abstraction reactions of the hydroxyl radical-water complex (OH-H2O) with CH4, C2H6, and C3H8 were investigated with ab initio molecular orbital methods. Molecular ...