2-{5-[N-(4-tert-Butylbenzyl)carbamoyl]-3-phenyl-1H-pyrazol-1-yl}acetic acidanatasecrystallizationrutilesubstrate temperatureTiO2 filmsIn the title compound, C 23 H 25 N 3 O 3 , all bond lengths and angles show normal values. The dihedral angles between the rings of the ...
The CdXdC bond anglesrange from 99.29 to 103.14 ? in 1 and from 97.56 to 99.87 ? in 2. The XeCeC]O torsion angles for thethree substituents are most different; one of the carboxylic acid groups attains the anti-conformationwith rather short S/O(H) and Se/O(H) distances, 2.744 and ...
The synthesis and structural characterization of some triorgano tin(IV) complexes of 2-{[(E)-1-(2-hydroxyaryl)alkylidene]amino}acetic acid. Crystal and molecular structures of Ph3Sn(2-OHC6H4C(H) NCH2COO) and Me3Sn(2-OHC6H4C(CH3) NCH2COO). Triorganotin(IV) derivatives of 2-{[(E...
-(2,3,4,4a,5,6,7,8-Octahydro-2-oxonaphthalen-1-yl)acetic acid:hydrogen-bonding pattern of themonohydrate of an unsaturatedbicyclic c-keto acidRoger A. Lalancette,* Andrew P. J. Brunskill andHugh W. ThompsonCarl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University,...
The C—X—C bond angles range from 99.29 to 103.14° in 1 and from 97.56 to 99.87° in 2 . The X C C O torsion angles for the three substituents are most different; one of the carboxylic acid groups attains the anti -conformation with rather short SO(H) and SeO(H) distances, ...
In the calculations we used the data on the geometry of the carboxyl group in acetic acid from [7]; it was assumed that the methy group angles deviate onlyoslightly from tetrahedral upon chlorosubstltution, and that the C--CI bond length is 1.77 A, which is close to its value in the...
indole‐3‐acetic acidGeometries of free 1 H -indole-3-acetic acid (IAA) and IAA hydrogen bond dimer were optimized at several computational levels: molecular mechanics, semiempirical methods, ab initio density functional theory with SVWN (Slater-Vosko-Wilk-Nusair) and Becke's three-parameter ...
The conformations and SC sp 3 C sp 2 (phen) bond angles of this group in two independent molecules are distinctly different. The comparison of the investigated compound with the literature data of related molecules is given.doi:10.1007/BF01667041W. Wieczorek...
Studies the structure of the compound 9α-Fluoro-16α-methyl-3,11-dioxoandrosta-1,4-diene-17β-ca rboxylic acid. Molecular composition of the compound; Analysis of the hydrogen bonding in the compound; Description of bond angles and bond lengths in the compound....
The calculated mean backbone torsion angles and helical parameters of the 14-helix foldamers of oligo-γAc6a peptides are consistent with those of the X-ray structures of Cα-ethyl-γAc6a peptides. Although the 14-helix foldamers of γAc6a and 2-(aminomethyl)cyclohexanecarboxylic acid (...