A total synthesis of phomactin AElectronic supplementary information (ESI) available: X-ray crystal structure data for the bis-epoxide 17. See http://www.rsc.org/suppdata/cc/b2/b206041h/

2002 ◽  
pp. 1736-1737 ◽  
Author(s):  
William P. D. Goldring ◽  
Gerald Pattenden
Keyword(s):  
Crystal Structure ◽  
Total Synthesis ◽  
Structure Data ◽  
Crystal Structure Data ◽  
Supplementary Information ◽  
X Ray

X-Ray Crystal Structure Analysis of Substituted 5-(2,3-Dihydro-7-benzofuryl)- 2-methylpyrazolo[4,3-d]pyrimidin-7-one (iso-Biagra) [1]

2000 ◽  
Vol 55 (11) ◽  
pp. 1079-1082
Author(s):  
Mustafa M. El-Abadelah ◽  
Salim S. Sabri ◽  
Monther A. Khanfar ◽  
Wolfgang Voelter ◽  
Cacilia Maichle-Mössmer
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Structure Data ◽  
Interatomic Distance ◽  
Crystal Structure Data ◽  
Lone Pair ◽  
Crystal Structure Analysis ◽  
Interplanar Angle ◽  
X Ray ◽  
Intramolecular Hydrogen

X-ray crystal structure data for the substituted 5-(2,3-dihydro-7-benzofuryl)-2-methylpyrazolo[ 4,3-d]pyrimidin-7-one (3) reveal that the two bicyclic heteroaryl systems show no coplanarity along their joint C (5) - C (11) axis with an interplanar angle of 9.6°. Nonetheless, the spatial interatomic distance for O(17)-N(6), determined as 2.73 A, allows the formation of a relatively weak intramolecular hydrogen bond between the pyrimidinone N(6)-H and the O(17) lone pair of the dihydrobenzofuryl moiety.

The 125Te Mössbauer Absorption Spectra of Tellurium Complexes with Sulfur-Containing Ligands

1975 ◽  
Vol 53 (13) ◽  
pp. 1855-1860 ◽  
Author(s):  
Robert Michael Cheyne ◽  
Colin Henry Wilson Jones ◽  
Steinar Husebye
Keyword(s):  
Crystal Structure ◽  
Absorption Spectra ◽  
Structure Data ◽  
Mössbauer Spectra ◽  
Crystal Structure Data ◽  
X Ray ◽  
Mossbauer Spectra ◽  
Distorted Octahedral ◽  
Sulfur Containing ◽  
Bonding Scheme

The 125Te Mössbauer spectra of a number of Te(II) and Te(IV) complexes with sulfur-containing ligands have been measured. The Te(II) compounds exhibit large quadrupole splittings of 12.4 to 15.2 mm s−1 and isomer shifts (125I/Cu) of + 0.33 to + 0.91 mm s−1. These data are interpreted as evidence for the incorporation of some 5s character in the bonding scheme for several of the compounds, consistent with the interpretation of X-ray crystal structure data. For the Te(IV) compounds 6, 7, and 8 coordinate molecules have been studied containing tellurium in distorted octahedral, pentagonal bipyramidal, and dodecahedral coordination.

Geometry of proline and hydroxyproline I: An analysis of X-ray crystal structure data

1986 ◽  
Vol 140 (3) ◽  
pp. 895-900 ◽  
Author(s):  
V.N. Balaji ◽  
M.Jagannatha Rao ◽  
Shashidhar N. Rao ◽  
Stephen W. Dietrich ◽  
V. Sasisekharan
Keyword(s):  
Crystal Structure ◽  
Structure Data ◽  
Crystal Structure Data ◽  
X Ray

X-Ray, NMR, and NQR Investigations of the Crystal Structure and Charge Distribution of Sodium Tetrachloroaluminate, NaAlCl4

1976 ◽  
Vol 31 (11) ◽  
pp. 1354-1369 ◽  
Author(s):  
W. Scheinert ◽  
Alarich Weiss
Keyword(s):  
Crystal Structure ◽  
Structure Data ◽  
Room Temperature ◽  
Crystal Structure Data ◽  
Ionic Character ◽  
Electric Field Gradients ◽  
Tetrahedral Symmetry ◽  
Small Deviations ◽  
X Ray ◽  
Field Gradients

Abstract On single crystals of NaAlCl4 the NMR- and NQR-spectra of 23Na, 27Al, and 35Cl were studied at room temperature. The crystal structure of NaAlCl4 has been refined. A comparison of the NMR (NQR) data with the crystal structure data shows that the electric field gradients (EFG) at the chlorine sites are mainly determined by the partial covalency of the Al-Cl bond, whereas the EFG at the aluminum sites is determined by the small deviations of the AlCl4 ion from tetrahedral symmetry and by the influence of the lattice. ∣ e2 q Q/h ∣ (23Na) proves the dominant ionic character of sodium in the lattice. The experimental results for the crystal structure show minor deviations from Baenziger's data.The NMR (NQR) data at T=22 °C are [atom (∣e2 q Q/h ∣ / MHz; η)]: 23Na (1.1117±0.0012; 0.2153 + 0.0005); 27Al (1.4895±0.0012; 0.3375±0.0011) ; 35ClI (23.033±0.030; 0.182 ±0.025); 35ClII (22.520 ±0.010; 0.270 ± 0.005) ; 35ClIII (21.646 ±0.003; 0.315±0.007); 35ClIV (22.410±0.016; 0.197±0.010).

X-ray powder data for Nd2Co14B, Pr2Co14B and Pr2Fe14B

1994 ◽  
Vol 9 (3) ◽  
pp. 189-193 ◽  
Author(s):  
A. M. Wims ◽  
C. D. Fuerst
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Neutron Diffraction ◽  
Magnetic Materials ◽  
Structure Data ◽  
Crystal Structure Data ◽  
Computer Programs ◽  
X Ray Diffraction ◽  
X Ray

The crystal structure data have been determined by X-ray diffraction for three rare earth magnetic materials, Nd2Co14B, Pr2Co14B, and Pr2Fe14B. The data were evaluated with several computer programs desingned for that purpose. The crystal structure for Nd2Co14B and Pr2Fe14D determined by X-ray diffraction agree with those obtained earlier by neutron diffraction.

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