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Mostrando ítems 1-10 de 26
Artículo
X-ray Structure and Thermal Motion of Barium N-Dithioearboxylatoglyeinate Trihydrate
(International Union of Crystallography, 1986)
Ba2+.C3H3NO2S2-.3H2 O, Mr=340.6 , triclinic, P1, a = 7.906 (1), b = 7.905 (1), c = 8.000 (1) A, ct= 96.34 (1), fl= 100.08 (1), 7= 93.54 (1)% V= 487.6 (1)A 3, Z- 2, Din= 2.31 (1), D x = 2.320 Mg m -3, 2(Mo Kct) = 0.7107/k, ...
Artículo
Lattice Dynamics and Thermal Crystallographic Parameters in Phenothiazine
(International Union of Crystallography, 1984)
A computer program has been developed to study the lattice dynamics of molecular crystals in the harmonic approximation with the external Born-yon KS.rm~n formalism and an atom-atom potential function. Dispersion curves ...
Artículo
Structure and Molecular-Packing Analysis of a Heptofuranosoimidazolidine-2-Thione
(International Union ofCrystallography, 1987)
1-(4-Bromophenyl)-3-ethyl-(3,5,6,7-tetra-0- acetyl-1,2-dideoxy-n-glycero-P-n-talo-heptofuranoso )- * IUPAC name: 1-{6-acetoxy-3-bromophenyl-2-thioxo-2,3,3a,- 5,6,6a-tetrahydro-1H-furo[2,3-d]imidazol-5-yl ...
Artículo
X-Ray Structure and Molecular-Packing Analysis of Artemetin
(International Union of Crystallography, 1987)
5-Hydroxy-3,3' ,4',6,7-pentamethoxyflavone (flavone is 2-phenyl-4H-1-benzopyran-4-one ), C20H20- 08, M,= 388·4, monoclinic, P2/n, a= 7·518 (4), b=13·625(3), C=17·766(5)Á, P=98·52(3) 0 , V = 1803 (l)Á\ Z=4, Dx= ...
Artículo
Lattice-Dynamical Calculation of Second-Order Thermal Diffuse Scattering in Molecular Crystals
(International Union of Crystallography, 1985)
A computer procedure has been developed to calculate second-order thermal diffuse scattering (TDS) intensity for molecular crystals from latticedynamical calculations with an atom-atom potential in the Born-von K~irmfin ...
Artículo
The Structure of l-Phenyl-4,5-(l,2-D-glucofurano)imidazolidin-2-one
(International Union of Crystallography, 1980)
The crystal structure of Cl3Ht6N20 5 has been solved by direct methods. Crystal data are a -- 9.033 (1), b -- 10.097 (1), c -- 7.155 (1)A, fl= 105.92 (1) °, Z -- 2, space group P21 (from statistics). The final R value ...
Artículo
Structure of 4-(~-D-Erythrofuranosyl)-3-methyl- l-(p-tolyl)-4-imidazoline-2-thione Monohydrate, C 15H18N203S.H20
(International Union of Crystallography, 1983)
Mr=324.4, orthorhombic, P212t2 ~, a= 32.150(5), b=10.215(1), c=4.805(1)A, V= 1578.0 (4)/~3, Z = 4, D x = 1.36 Mg m -a, 2(Cu Ka) = 1.5418A, #=1.953mm -1, T=300K, final R= 0.050 for 1361 observed [I>2tr(I)] independent ...
Artículo
Lattice-Energy Calculations on Organometallic Compounds
(International Union of Crystallography, 1988)
Lattice-energy calculations in the atom-atom approach have been performed for five organometallic com pounds of previously determined crystal structure. Minimization of energy in terms of positional, orienta tional, ...
Artículo
Structure of l'-(p-Bromophenyl)-3'-ethyl- 1',3', 4',5'-tetrahydro- 1,2-dideoxy-D-glycero- L-gluco-heptofuranoso[ 1,2-d]imidazole-2'-thione,* C16H21BrN205 S
(International Union of Crystallography, 1983)
M,=433.3, orthorhombic, P2,2~2,, a= 8.466 (2), b .... 27. 136 (5), c - 7.776 (5) A, V = 1786(1)A3, Z=4, D,,,= 1.60(l),Dx= 1.61Mgm -3, Mo Ka, 2 = 0.7107 A, a = 2.42 mm-', F(000) = 888, 300 K, R =0.045 for 1 196 observed ...
Artículo
Structure of 5-(p-n-Glucopyranosyl)barbituric Acid Trihydrat
(International Union of Crystallography, 1987)
C 1oH15N 307.3H20, M,= 343·3, monoclinic, P21, a= 10·883 (3), b = 12·497 (20), e=rings for the two molecules are 80·9 (3) and 90·3 (3)0 • The molecules are linked by an extensive three10·553 (4)Á, {3= 91·05 ...