scholarly journals TRIPLET: a two-dimensional, multigroup, triangular mesh, planar geometry, explicit transport code

Author(s):  
W.H. Reed ◽  
T.R. Hill ◽  
F.W. Brinkley ◽  
K.D. Lathrop
2015 ◽  
Vol 71 (12) ◽  
pp. o1086-o1087
Author(s):  
Ioannis Tiritiris ◽  
Willi Kantlehner

In the crystal structure of the title salt, C24H38N42+·2C24H20B−, the C—N bond lengths in the central CN3unit of the guanidinium ion are 1.3364 (13), 1.3407 (13) and 1.3539 (13) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charge is delocalized in the CN3plane. The bonds between the N atoms and the terminal methyl groups of the guanidinium moiety and the four C—N bonds to the central N atom of the (benzyldimethylazaniumyl)propyl group have single-bond character. In the crystal, C—H...π interactions between the guanidinium H atoms and the phenyl C atoms of the tetraphenylborate ions are present, leading to the formation of a two-dimensional supramolecular pattern parallel to theacplane.


1977 ◽  
Vol 24 (2) ◽  
pp. 117-132 ◽  
Author(s):  
F.J. Helton ◽  
R.L. Miller ◽  
John M. Rawls

2006 ◽  
Vol 72 (06) ◽  
pp. 1229
Author(s):  
A. TAKAYAMA ◽  
A. YU. PIGAROV ◽  
S. I. K RASHENINNIKOV ◽  
Y. TOMITA ◽  
S. ISHIGURO ◽  
...  

1978 ◽  
Vol 220 ◽  
pp. 1001 ◽  
Author(s):  
D. Mihalas ◽  
L. H. Auer ◽  
B. R. Mihalas

2003 ◽  
Vol 119 (6) ◽  
pp. 3535-3540 ◽  
Author(s):  
Marco Cosentino Lagomarsino ◽  
Marileen Dogterom ◽  
Marjolein Dijkstra

Author(s):  
Monika Stolárová ◽  
Juraj Černák ◽  
Milagros Tomás ◽  
Larry R. Falvello

The reaction ofN1,N1′-(ethane-1,2-diyl)bis(propane-1,3-diamine) (bapen), K2[Ni(CN)4]·H2O and dimethylformamide in the presence of Gd(NO3)3·6H2O under solvothermal conditions yielded yellow crystals of dicyanido(2,3,4,6,7,9,10,11-octahydropyrimido[2′,1′:3,4]pyrazino[1,2-a]pyrimidine)nickel(II) hemihydrate, [Ni(CN)2(C10H16N4)]·0.5H2O, (I), the crystal structure of which is composed of [Ni(CN)2(pdpm)] molecules (pdpm is 2,3,4,6,7,9,10,11-octahydropyrimido[2′,1′:3,4]pyrazino[1,2-a]pyrimidine) on general positions linked by O—H...N hydrogen bonds to water molecules located on twofold axes. This structural unit is further linked by nonclassical C—H...N interactions to form a warped two-dimensional net perpendicular to the unit-cellbaxis. The nets are stacked, with C—H...O contacts joining successive units. The NiIIcation is coordinated with square-planar geometry by a chelating pdpm ligand and two cyanide ligands in mutuallycispositions. Complex (I) is stable up to 360 K, at which point dehydration takes place; the ligands start to decompose at 558 K.


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