scholarly journals Poly[3-methyl-1,3-oxazolidin-2-iminium[µ3-cyanido-tri-µ2-cyanido-κ9C:N-tricuprate(I)]]

Molbank ◽  
10.3390/m1259 ◽  
2021 ◽  
Vol 2021 (3) ◽  
pp. M1259
Author(s):  
Leena N. Rachid ◽  
Peter W. R. Corfield
Keyword(s):  
Single Crystal ◽  
Structure Analysis ◽  
Title Compound ◽  
Three Dimensional ◽  
Network Polymer ◽  
Cyanide Ion ◽  
Unexpected Formation ◽  
Oxazole Ring ◽  
X Ray ◽  
Iminium Cations

The unexpected formation of an oxazole ring has occurred during synthesis of a copper(I) cyanide network polymer as part of our ongoing studies of the structural chemistry of these networks. Crystals of the title compound were formed during the synthesis of a previously reported CuCN network solid containing protonated N-methylethanolamine and have been characterized by single crystal X-ray structure analysis. The structure shows well-defined oxazole-2-iminium cations sitting in continuous channels along the short a-axis of the crystal in a new three-dimensional copper(I) cyanide polymeric network. Evidently, a reaction has occurred between the cyanide ion and the protonated N-methylethanolamine base.

scholarly journals New Spiro-Tin Compounds: Reaction of N,N′-Dialkyl Sulfur Diimides with Cyclic Bis(amino)stannylenes - Unexpected Formation of a N-N Bond

1995 ◽  
Vol 50 (12) ◽  
pp. 1811-1817 ◽  
Author(s):  
Max Herberhold ◽  
Christian Köhler ◽  
Wolfgang Milius ◽  
Bernd Wrackmeyer
Keyword(s):  
Molecular Structure ◽  
Magnetic Resonance ◽  
Single Crystal ◽  
Structure Analysis ◽  
Membered Ring ◽  
Monoclinic Space Group ◽  
Unexpected Formation ◽  
Tin Compounds ◽  
X Ray ◽  
Tert Butyl

N,N′-Dialkyl sulfur diimides (1), R(NSN)R [R = Me (a), Et (b), nPr (c), nBu (d)] react with cyclic bis(amino)stannylenes such as 1,3-di-tert-butyl-4,4-dimethyl-1,3,4,2λ2-diazasilastannetedine (2) or 1,3-di-tert-butyl-4,4,5,5-tetramethyl-1,3,4,5,2λ2-diazadisilastannolidine (3) in a 2:1 ratio to give the new spiro-tin(IV) compounds 5a-d, 6b and 6c, built from the respective cyclic bis(amino)stannylene and a seven-membered ring in which the two sulfur diimide groups are coupled via a N-N bond and across the tin atom. A 1:1 adduct 4 is proposed as an intermediate which is the final product 4e in the case of R = tBu (1e). The products were characterized by multinuclear magnetic resonance (1H, 13C, 15N, 29Si, 119Sn NMR), and in the case of 5c the molecular structure was determined by single crystal X-ray structure analysis [monoclinic, space group C2/c ; a = 1504.1(3), b = 1393.3(3), c = 1688.6(3) pm; β = 115.71(3)°].

scholarly journals Reinvestigation of trilithium divanadium(III) tris(orthophosphate), Li3V2(PO4)3, based on single-crystal X-ray data

2013 ◽  
Vol 69 (2) ◽  
pp. i11-i12 ◽  
Author(s):  
Yongho Kee ◽  
Hoseop Yun
Keyword(s):  
Single Crystal ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Title Compound ◽  
Three Dimensional ◽  
Structure Type ◽  
Powder Diffraction Data ◽  
Charge Balance ◽  
X Ray ◽  
Anisotropic Displacement Parameters

The structure of Li3V2(PO4)3has been reinvestigated from single-crystal X-ray data. Although the results of the previous studies (all based on powder diffraction data) are comparable with our redetermination, all atoms were refined with anisotropic displacement parameters in the current study, and the resulting bond lengths are more accurate than those determined from powder diffraction data. The title compound adopts the Li3Fe2(PO4)3structure type. The structure is composed of VO6octahedra and PO4tetrahedra by sharing O atoms to form the three-dimensional anionic framework∞3[V2(PO4)3]3−. The positions of the Li+ions in the empty channels can vary depending on the synthetic conditions. Bond-valence-sum calculations showed structures that are similar to the results of the present study seem to be more stable compared with others. The classical charge balance of the title compound can be represented as [Li+]3[V3+]2[P5+]3[O2−]12.

Synthesis and Structure Analysis of N1,N4,3,6-Tetramethyl-N1,N4-Diphenyl-1,4-Dihydro-1,2,4,5-Tetrazine-1,4-Dicarboxamide

2012 ◽  
Vol 36 (3) ◽  
pp. 178-180 ◽  
Author(s):  
Guo-Wu Rao ◽  
Qi Li ◽  
Zhen-Guo Zhao
Keyword(s):  
Single Crystal ◽  
Structure Analysis ◽  
Title Compound ◽  
Boat Conformation ◽  
X Ray Diffraction ◽  
X Ray

N1, N4,3,6-Tetramethyl- N1, N4-diphenyl-1,4-dihydro-1,2,4,5-tetrazine-1,4-dicarboxamide was prepared from 3,6-dimethyl-1,6-dihydro-1,2,4,5-tetrazine, bis(trichloromethyl) carbonate and N-methylaniline. Its structure was confirmed by single-crystal X-ray diffraction. This reaction yields the title compound rather than N1, N2,3,6-tetramethyl- N1, N2-diphenyl-1,2-dihydro-1,2,4,5-tetrazine-1,2- dicarboxamide. The central tetrazine ring of the title compound exhibits a boat conformation and is therefore not homoaromatic.

Synthesis and Structure Analysis of N1,N4-di-tert-Butyl-3,6-Dimethyl-1,4-Dihydro-1,2,4,5-Tetrazine-1,4-Dicarboxamide

2012 ◽  
Vol 36 (3) ◽  
pp. 172-174 ◽  
Author(s):  
Guo-Wu Rao ◽  
Jia-Bin Ni ◽  
Qi Li
Keyword(s):  
Single Crystal ◽  
Structure Analysis ◽  
Title Compound ◽  
Boat Conformation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Tert Butyl

N1, N4-Di- tert-butyl-3,6-dimethyl-1,4-dihydro-1,2,4,5-tetrazine-1,4-dicarboxamide was prepared from 3,6-dimethyl-1,6-dihydro-1,2,4,5-tetrazine, and its structure was confirmed by single-crystal X-ray diffraction. This reaction yields the 1,4-dicarboxamide derivative rather than the 1,2-dicarboxamide derivative. The central six-member ring of the title compound has a boat conformation and therefore, is not homoaromatic.

Crystal Structure of the Pyridinium Salt of the Polymeric Tris(thiocyanato)dicuprate(I) Anion

1979 ◽  
Vol 32 (12) ◽  
pp. 2757 ◽  
Author(s):  
CL Raston ◽  
B Walter ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Nitrogen Atom ◽  
Single Crystal ◽  
Title Compound ◽  
Three Dimensional ◽  
Pyridinium Salt ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimensional Network

The title compound, [C5H6N]+ [Cu2(SCN)3]-, has been prepared and its crystal structure determined by single-crystal X-ray diffraction at 295(1) K. Crystals are monoclinic, Cc, a 11.238(7), b 11.644(4), c 10.020(4)Ǻ, β 102.67(3)°, Z 4, the structure being refined to a residual of 0.037 for the 960 'observed' reflections. The structure comprises a three-dimensional network of copper(I) atoms linked by bridging thiocyanate groups, the pyridinium counterions occupying sites in the network cavities. Both copper atoms are four-coordinate, one having an environment of one nitrogen atom [Cu-N, 1.926(9)Ǻ] and three sulfur atoms [Cu-S, 2.319(3), 2.421(3), 2.448(3)Ǻ], while the other is coordinated by two atoms of each type [Cu-N, 1.935(9), 1.947(10); Cu-S, 2.430(3), 2.493(4) Ǻ].

Crystal structure of the ferromagnetic polymer potassium Bis(carbonato)cuprate(II)

1980 ◽  
Vol 33 (2) ◽  
pp. 431 ◽  
Author(s):  
A Farrand ◽  
AK Gregson ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Square Planar

The crystal structure of the title compound, K2Cu(CO3)2, has been determined by single-crystal X-ray diffraction at 295(1) K, and refined by least squares to a residual of 0.027 for 1441 'observed' reflections. Crystals are orthorhombic, space group Fdd2, a 11.425(3), b 17.658(4), c 6.154(2) A, Z 8. The structure comprises potassium cations embedded in an infinite three-dimensional polymeric anionic array of square-planar coordinated copper atoms with bridging carbonate groups [Cu-O 1.934(2), 1.936(2) Ǻ]. Within the latter, the non- coordinating oxygen-carbon bond is shorter [1.259(3) Ǻ] than the other two [1.303(3), 1.307(2) Ǻ] and the O-C-O angle opposite it is correspondingly reduced to 117.1(2)°. The CO3 plane lies at 83.9° to the CuO4 'plane'.

The chemical reactivity and molecular structure of 4,6-Dinitro-2-(2,4,6-trinitrophenyl) benzotriazole 1-oxide. A new heterocyclic super-electrophile

1983 ◽  
Vol 36 (9) ◽  
pp. 1843 ◽  
Author(s):  
RA Renfrow ◽  
MJ Strauss ◽  
S Cohan ◽  
E Buncel
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Chemical Reactivity ◽  
Three Dimensional ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray ◽  
A Cell

The first preparation of the title compound (3) is reported and its reactivity with nucleophiles examined. Attack occurs at both the benzotriazole and the picryl ring moieties, the former process giving rise to spectrally observable Meisenheimer type σ-complexes, the latter to displacement. The results allow comparison to be drawn with the behaviour of 4,6-dinitrobenzofuroxan, which also acts as a super-electrophile. The structure of (3) has been determined from three-dimensional X-ray data collected from a single crystal. The material crystallized in space group Pbca of the orthorhombic system with eight molecules in a cell of dimensions a 16.050, b 11.478, c 17.823 A; V 3283.5 �3.

scholarly journals Crystal structure of 4-[(adamantan-1-yl)amino]naphthalene-1,2-dione

2019 ◽  
Vol 75 (1) ◽  
pp. 99-102
Author(s):  
Guy Lamoureux ◽  
Mónica Alvarado-Rojas ◽  
Leslie W. Pineda
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Carbonyl Group ◽  
Title Compound ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Compound C ◽  
Dimensional Network

The title compound, C20H21NO2, an example of a stable 1,2-naphthoquinone, was determined by single-crystal X-ray diffraction analysis at 100 K. This structure illustrates steric buttressing of the adamantanyl group, forcing the N—H group into the coplanar aromatic C—H. The presence of strong delocalization between the planar N atom at the 4-position and the carbonyl group at the 2-position is indicated. In the crystal, C—H...O and C—H...π interactions link the molecules into a three-dimensional network.

Synthese und Einkristall-Strukturanalyse des Oxidnitrits K5AgO2(NO2)2 / Synthesis and Single Crystal Structure Analysis of the Oxide Nitrite K5AgO2(NO2)2

1993 ◽  
Vol 48 (2) ◽  
pp. 230-232 ◽  
Author(s):  
Thomas Bremm ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structure Analysis ◽  
Title Compound ◽  
Crystal Structure Analysis ◽  
Single Crystal Structure ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Perovskite Type ◽  
Single Crystal Structure Analysis

AbstractThe title compound has been characterized by X-ray powder and single crystal diffraction: Pbam. a = 715.8(1), b = 1393.1(2), c = 539.4(1) pm; Z = 2; 1088 diffractometer data; R = 0.087, Rw = 0.083. The crystal structure is a variant of the anti-perovskite type of structure. The NO2- anion is rotationally disordered.

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