Synthesis and crystal structure of 2,3,12,13-tetraalkoxy-21, 23-dithiaporphyrinsElectronic supplementary information (ESI) available: 1H-NMR, LD-MS spectra and X-ray crystal structure data. See http://www.rsc.org/suppdata/cc/b2/b208017f/

2002 ◽  
pp. 2642-2643 ◽  
Author(s):  
Neeraj Agarwal ◽  
Sarada P. Mishra ◽  
Anil Kumar ◽  
C.-H. Hung ◽  
M. Ravikanth

Author(s):  
P. BHYRAPPA ◽  
K. S. SUSLICK

The synthesis, characterization and crystal structure of the octanitro-substituted porphyrin 5,10,15,20-tetrakis(3,5-dinitrophenyl)porphyrin, H 2 T (3,5- DNP ) P , are described. The solid state structure has two porphyrins in the unit cell with eight pyridine solvates and is made up from columnar arrays of the porphyrins. X-ray crystal structure data: monoclinic, space group P1 21/n1, a = 14.9996(9) Å, b = 8.2489(5) Å, c = 24.818(2) Å, α = 90 °, β = 104.172(1) °, γ = 90 °, V = 2977.3(3) Å3, dcalc = 1.440 g m-3, Z = 2.



1976 ◽  
Vol 98 (19) ◽  
pp. 6049-6051 ◽  
Author(s):  
Alice A. Dzakpasu ◽  
Simon E. V. Phillips ◽  
John R. Scheffer ◽  
James Trotter




2000 ◽  
Vol 55 (11) ◽  
pp. 1079-1082
Author(s):  
Mustafa M. El-Abadelah ◽  
Salim S. Sabri ◽  
Monther A. Khanfar ◽  
Wolfgang Voelter ◽  
Cacilia Maichle-Mössmer

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.



1975 ◽  
Vol 53 (13) ◽  
pp. 1855-1860 ◽  
Author(s):  
Robert Michael Cheyne ◽  
Colin Henry Wilson Jones ◽  
Steinar Husebye

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.



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


1976 ◽  
Vol 31 (11) ◽  
pp. 1354-1369 ◽  
Author(s):  
W. Scheinert ◽  
Alarich Weiss

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).



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