scholarly journals Crystallographic and computational study of t-butyl N-[3-hydroxy-1-phenyl-4-(pyridin- 2-ylsulfanyl)butan-2-yl]carbamate and its pyrimidin-2-yl analogue

2016 ◽  
Vol 231 (11) ◽  
Author(s):  
Walcimar T. Vellasco Junior ◽  
Claudia R.B. Gomes ◽  
Thatyana R.A. Vasconcelos ◽  
James L. Wardell ◽  
Alberto Otero-de-la-Roza ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Title Compound ◽  
Computational Study ◽  
Crystal Structure Analysis ◽  
Biologically Relevant

AbstractThe crystal structure analysis of the biologically-relevant title compound (

4-(Bromomethyl)benzophenone

2007 ◽  
Vol 63 (3) ◽  
pp. o1188-o1189 ◽  
Author(s):  
Wei-Jian Xu ◽  
Yang-Ling Zang ◽  
Guo-Liang Wu ◽  
Sheng-Pei Su ◽  
De-Yue Qiu
Keyword(s):  
Crystal Structure ◽  
Carbon Tetrachloride ◽  
Dihedral Angle ◽  
Structure Analysis ◽  
Title Compound ◽  
Crystal Packing ◽  
Crystal Structure Analysis ◽  
X Ray ◽  
Compound C ◽  
Phenyl Rings

The title compound, C14H11BrO, was synthesized by the reaction of 4-methylbenzophenone and bromine in carbon tetrachloride. X-ray crystal structure analysis reveals that the benzene and phenyl rings form a dihedral angle of 59.53 (6)°, and the crystal packing is stabilized by intermolecular C—H...π interactions.

scholarly journals (2S,3S,4R,4a'R,5R,5a'R,11a'R,12′S,12a'R)-5-(Acetoxymethyl)-2′,2′,10′,10′-tetramethyloctahydro-3H,8′H-spiro[furan-2,7′-[1,3]dioxino[4′,5′:5,6]pyrano[3,2-d][1,3,6]trioxocine]-3,4,12′-triyl triacetate

IUCrData ◽  
2019 ◽  
Vol 4 (7) ◽  
Author(s):  
H. E. Bollard ◽  
M. G. Banwell ◽  
J. S. Ward
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Absolute Configuration ◽  
Title Compound ◽  
Resonant Scattering ◽  
Crystal Structure Analysis ◽  
Compound C ◽  
Synthetic Derivative

While the crystal structure analysis of the title compound, C26H38O15, a synthetic derivative of sucrose, was originally reported 40 years ago [Drew et al. (1979). Carbohydr. Res. 71, 35–42], the present work has allowed for the determination of its absolute configuration through the application of resonant scattering techniques.

scholarly journals Crystal structure analysis of ethyl 6-(4-methoxyphenyl)-1-methyl-4-methylsulfanyl-3-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

2020 ◽  
Vol 76 (8) ◽  
pp. 1209-1212
Author(s):  
H. Surya Prakash Rao ◽  
Ramalingam Gunasundari ◽  
Jayaraman Muthukumaran
Keyword(s):  
Crystal Structure ◽  
Dihedral Angle ◽  
Structure Analysis ◽  
Title Compound ◽  
Crystal Packing ◽  
Crystal Structure Analysis ◽  
Dihedral Angles ◽  
Pyridine Moiety ◽  
Compound C ◽  
Phenyl Rings

In the title compound, C24H23N3O3S, the dihedral angle between the fused pyrazole and pyridine rings is 1.76 (7)°. The benzene and methoxy phenyl rings make dihedral angles of 44.8 (5) and 63.86 (5)°, respectively, with the pyrazolo[3,4-b] pyridine moiety. An intramolecular short S...O contact [3.215 (2) Å] is observed. The crystal packing features C—H...π interactions.

(1aR,2aS,5aS,5bS)-Perhydro-4H-oxireno[3,4]cyclopenta[1,2-b]furan-4-one

2007 ◽  
Vol 63 (3) ◽  
pp. o1359-o1360
Author(s):  
Christian Peifer ◽  
Melanie Tschertsche ◽  
Dieter Schollmeyer ◽  
Stefan Laufer
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Title Compound ◽  
Crystal Structure Analysis ◽  
Epoxide Group ◽  
X Ray ◽  
Compound C ◽  
Lactone Group

The structure of the title compound, C7H8O3, was determined in the course of our studies of the synthesis of cyclopenta[1,2-b]furan-4-one derivatives. The molecule has four chiral C atoms. The X-ray crystal structure analysis shows the compound to possess an epoxide group with an endo orientation with respect to the lactone group.

Synthesis and X-ray Crystal Studies of 6-(2-chlorophenyl)-3-methyl[1,2,4] triazolo[4,5-b][1,3,4]thiadiazole

2005 ◽  
Vol 2005 (4) ◽  
pp. 238-239 ◽  
Author(s):  
Shivananju Nanjunda-Swamy ◽  
Basappa ◽  
Gangadharaiah Sarala ◽  
Basappa Prabhuswamy ◽  
Sridhar M. Anandalwar ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Structure Analysis ◽  
Title Compound ◽  
Molecular Hydrogen ◽  
Crystal Structure Analysis ◽  
Spectroscopic Techniques ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The compound 6-(2-chlorophenyl)-3-methyl[1,2,4]triazolo[4,5-b][1,3,4]thiadiazole, was synthesised using different reagents and conditions, characterised by spectroscopic techniques and finally confirmed by X-ray crystal structure analysis. The title compound crystallises in monoclinic class under the space group P21/c with cell parameters, a=10.6710 (6)Å, b=7.3660 (4)Å, c=14.3900 (8)Å, β=110.403 (3)°, Z=2 and R1= 0.0396 for 2715 reflections [I>2ΣI]. The structure exhibits inter-molecular hydrogen bonding.

3,3’’-Bis(saccharin-6-ylmethyl)-1,1’:3’,1’’-terphenyl – Precursor of A New Tetradendate Bis-bridging Ligand

2012 ◽  
Vol 67 (10) ◽  
pp. 1070-1080 ◽  
Author(s):  
Stefan Buck ◽  
Gerhard Maas
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Title Compound ◽  
Crystal Structure Analysis ◽  
X Ray ◽  
Bridging Ligand ◽  
Coordination Sites ◽  
Dinuclear Ruthenium

The title compound (H2tpsac) was synthesized from 6-bromosaccharin and 3,3’’-bis(bromomethyl)- m-terphenyl. The ability of tpsac to serve as a tetradentate bis-bridging ligand was demonstrated by the formation of the dinuclear ruthenium(I,I) complexes [Ru2(CO)5(μ,μ-tpsac)]2, [Ru2(CO)4(μ,μ-tpsac)]n, [Ru2(CO)4(PPh3)2(μ,μ-tpsac)], and [Ru2(CO)5(PPh3)(μ,μ-tpsac)]. An X-ray crystal structure analysis of [Ru2(CO)4(PPh3)2(μ,μ-tpsac)] showed the head-to-tail (or 1,1) arrangement of the two saccharinate coordination sites.

2,2′-Bi[benzo[b]thiophene]: an unexpected isolation of the benzo[b]thiophene dimer

2014 ◽  
Vol 70 (6) ◽  
pp. 547-549
Author(s):  
Eugene Y. Cheung ◽  
Lewis D. Pennington ◽  
Michael D. Bartberger ◽  
Richard J. Staples
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Title Compound ◽  
Mother Liquor ◽  
Coupling Reaction ◽  
Cross Coupling ◽  
Crystal Structure Analysis ◽  
Spectroscopic Methods ◽  
Asymmetric Unit ◽  
Cross Coupling Reaction

The crystal structure of 2,2′-bi[benzo[b]thiophene], C16H10S2, at 173 K has triclinic (P\overline{1}) symmetry. It is of interest with respect to its apparent mode of synthesis, as it is a by-product of a Stille cross-coupling reaction in which it was not explictly detected by spectroscopic methods. It was upon crystal structure analysis of a specimen isolated from the mother liquor that this reaction was determined to give rise to the title compound, which is a dimer arising from the starting material. Two independent half-molecules of this dimer comprise the asymmetric unit, and the full molecules are generatedviainversion centers. Both molecules in the unit cell exhibit ring disorder, and they are essentially identical because of their rigidity and planarity.

scholarly journals Thermally Unstable 5-(9-Anthrylmethyl)-10-methyl-5,10-dihydrophenazine

1999 ◽  
Vol 23 (2) ◽  
pp. 72-73
Author(s):  
Akira Sugimoto ◽  
Keisuke Matsumoto ◽  
Hideyuki Maruyama ◽  
Kazuhiko Mizuno ◽  
Kaku Uehara
Keyword(s):  
Crystal Structure ◽  
Aromatic Ring ◽  
Structure Analysis ◽  
Title Compound ◽  
Crystal Structure Analysis ◽  
Orbital Interaction ◽  
X Ray

The title compound in refluxing toluene decomposed to 9-anthrylmethyl derivatives and phenazine as major products upon cleavage of the N–CH2 bond; the orbital interaction of which with π-orbitals of the aromatic ring was suggested by the X-ray crystal structure analysis.

Darstellung, Charakterisierung und Röntgenstrukturanalyse von η5 -Pentamethylcyclopentadienyl-bis(methylsulfido)carbonylrhenium, Cp*Re(CO)(SMe)2 / Preparation, Characterization and X-Ray Structure Analysis of η5-Pentamethylcyclopentadienyl-bis(methylsulfido)carbonylrhenium, Cp*Re(CO)(SMe)2

1987 ◽  
Vol 42 (6) ◽  
pp. 739-745 ◽  
Author(s):  
Max Herberhold ◽  
Bertram Schmidkonz ◽  
Manfred L. Ziegler ◽  
Orhan Serhadle
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Title Compound ◽  
Nmr Spectra ◽  
Dimethyl Disulfide ◽  
Crystal Structure Analysis ◽  
Ir And Nmr Spectra ◽  
X Ray ◽  
Complex Fragment

Abstract Reaction of the tetrahydrofuran-stabilized 16-electron complex fragment [Cp*Re(CO)2] with dimethyl disulfide, MeSSMe, leads to the diamagnetic title compound, Cp*Re(CO)(SMe)2 , which was characterized by mass, IR and NMR spectra and by an X-ray crystal structure analysis**. The two methylsulfido ligands are bent (angles Re-S-CH3 114.1(3)°) and turned away from the Cp* ring. The Re - S-bond distances are 227.0(2) pm.

Über hexakoordinierte gemischte Halogeno-Anionen des Te(IV): Kristallographische und Raman-spektroskopische Untersuchungen an Rb2TeBr3,5Cl2,5 / On Hexacoordinated Mixed Halogeno Anions of Te(IV): Crystallographic and Raman Spectroscopic Investigation of Rb2TeBr3,5Cl2,5

1988 ◽  
Vol 43 (5) ◽  
pp. 557-560 ◽  
Author(s):  
Walter Abriel ◽  
Hartmut Ehrhardt
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Title Compound ◽  
Spectroscopic Investigation ◽  
Random Distribution ◽  
Crystal Structure Analysis ◽  
Spectroscopic Methods ◽  
Space Group ◽  
Type Space ◽  
Raman Spectroscopic

Abstract The title compound contains the anions [TeBr3Cl3]2- and [TeBr4Cl2]2- in a 1:1 ratio. The corresponding point symmetries, detected by Raman spectroscopic methods, are 3 m and 4/mmm, respectively. The crystal structure analysis exhibits a random distribution of these anions: K2PtCl6- type, space group Fm3̅m with a = 10.4602(5) Å and Z = 4, final R = 0.036 from 178 F0 (MoKα).

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