Synthesis and Structure of the Methylated Tren Derivative N,N,N-Tris(2-aminoethyl)-N-methylammonium Chloride Trihydrochloride

2002 ◽  
Vol 55 (4) ◽  
pp. 263 ◽  
Author(s):  
A. G. Blackman
Keyword(s):  
Crystal Structure ◽  
Coordination Number ◽  
Dimethyl Sulfate ◽  
Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Counter Ions ◽  
Different Types ◽  
Methylammonium Chloride ◽  
Ethyl Amine

The synthesis and X-ray crystal structure of the new tren derivative N,N,N-tris(2-aminoethyl)-N-methylammonium chloride trihydrochloride are detailed. The compound was synthesized by methylation of tris(2-phthalimido-ethyl)amine using dimethyl sulfate followed by acid deprotection. N,N,N-Tris(2-aminoethyl)-N-methylammonium chloride trihydrochloride crystallizes in the hexagonal space group P63 and the X-ray crystal structure reveals one-dimensional chains of cations extensively hydrogen-bonded to two different types of chloride counter ions, one of which exhibits a coordination number of nine. The cation is a poor ligand towards both CoIII and NiII.

Zur Kenntnis des Kupfer-Oxid-Arsenats Cu4O(A sO4)2 / On the Copper Oxide Arsenate Cu4O(AsO4)2

1996 ◽  
Vol 51 (9) ◽  
pp. 1279-1282 ◽  
Author(s):  
M. Staack ◽  
Hk. Müller-Buschbaum
Keyword(s):  
Crystal Structure ◽  
Copper Oxide ◽  
Single Crystal ◽  
Copper Ions ◽  
Space Group ◽  
X Ray ◽  
Different Types ◽  
Symmetry Space ◽  
Symmetry Space Group ◽  
Anionic Part

The copper oxide arsenate Cu4O(AsO4)2 has been prepared and investigated by single crystal X-ray techniques. The compound crystallizes with triclinic symmetry, space group C1i-P1̄, a = 6.4148(7), b = 7.6549(5), c = 8.2241(7) Å, α = 98.52(1), β = 112.39(1), 7 = 98.38(1)°, Z = 2. Cu4O(AsO4)2 is isotypic to Cu4(PO4)2O . Copper ions on one of the four specified sites show nearly planar coordination by O2- and may be assigned to the anionic part of the crystal structure. One of the nine different types of oxygen atoms is coordinated by copper exclusively. The compound is therefore classified as an oxide arsenate.

Bildung eines Kupfer-Nitratokomplexes aus einem Azidokomplex und Ozon. Die Kristallstruktur von (PPh4)2[CuCl(NO3)3] · CH2Cl2/ Formation of a Copper Nitrato Complex from an Azido Complex. Crystal Structure of (PPh4)2[CuCl(NO3)3] · CH2Cl2

1992 ◽  
Vol 47 (1) ◽  
pp. 31-34 ◽  
Author(s):  
Karin Ruhlandt-Senge ◽  
Alfred D. Bacher ◽  
Ulrich Müller
Keyword(s):  
Crystal Structure ◽  
Coordination Number ◽  
The Other ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Complex Crystal Structure ◽  
Monodentate Ligands ◽  
Complex Crystal

(PPh4)2[CuCl(NO3)3] · CH2Cl2 is formed when ozone reacts with (PPh4)2[Cu2(N3)6] in dichloromethane. Its crystal structure was determined by X-ray diffraction. Crystal data: a = 1113(1), b = 1156(1), c = 1965(2) pm , α = 101.02(1), β = 93.74(1), γ = 104.05(2)° at 130 K, space group P1̄, Z = 2, R = 0.057 for 3951 observed reflexions. The structure contains CH2Cl2 molecules and PPh4+ and [CuCl(NO3)3]2- ions, with copper having coordination number 5. One nitrate ligand acts as a bidentate chelating unit, and the other two as monodentate ligands.

Crystal Structure of an Ammonium Dithiocyanatocuprate(I) Complex with 18-Crown-6, [NH4(18-Crown-6){Cu(NCS)2}] Obtained from Zero Valent Metal

1997 ◽  
Vol 52 (11) ◽  
pp. 1311-1314 ◽  
Author(s):  
Julia A. Manskaya ◽  
Volodimir N. Kokozay ◽  
Konstantin V. Domasevitch
Keyword(s):  
Crystal Structure ◽  
Direct Method ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
One Dimensional ◽  
X Ray ◽  
X Ray Crystallography ◽  
A Direct Method

The new macrocyclic dithiocyanatocuprate(I) complex [NH4(18-crown-6){Cu(NCS)2}] has been prepared using a direct method of interaction and characterized by X-ray crystallography (orthorhombic, space group Cmc21, with a = 12.453(2), b = 21.650(4), c = 8.151(2) Å, V = 2197.6(8) Å3, Z = 4 , R1 (F) = 0.054; wR2(F2) = 0.141 for 972 unique reflections with I > 2σ(I) and R1(F) = 0.082; w/?2(F2) = 0.210 for all 1098 unique reflections). The lattice comprises complex cations [NH4(18-crown-6)]+ and infinite polymeric anions [Cu(NCS)2]- of a one-dimensional zig-zag structure. The copper atoms adopt three-fold coordination [CuN2S] (Cu-N 1,89( 1), 1,90( 1) Å; Cu-S 2.278(4) Å).

Zur Koordination von Thiocyanat in ternären Metallkomplexen: CdZn(NCS)4 und die Kristallstruktur von BaZn(NCS)4 · 7H2O / On the Coordination of Thiocyanate in Ternary Metal Complexes: CdZn(NCS)4 and the Crystal Structure of BaZn(NCS)4 · 7H2O

1985 ◽  
Vol 40 (3) ◽  
pp. 347-351 ◽  
Author(s):  
Klaus Brodersen ◽  
Hans-Ulrich Hummel ◽  
Karl Böhm ◽  
Heribert Procher
Keyword(s):  
Crystal Structure ◽  
Water Molecules ◽  
Crystal Water ◽  
Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Group I ◽  
Ternary Metal ◽  
Ray Methods ◽  
Ternary Metal Complexes

CdZn(NCS)4 (1): studied by means of Precession and Guinier technique. The compound seems to be isomorphous to CdHg(SCN)4 but with exchanged metal positions consisting of tetrahedral Cd(SCN)4 and Zn(NCS)4 groups. (Mr = 410.1, space group I 4̄, Z = 2, a = 1110.89(2) pm, c = 444.36(2) pm, V = 548.37 · 106 pm3, dc = 2.48 g · cm-3.)BaZn(NCS)4-7H2O (2): prepared by reaction of Ba(NCS)2-3H2O with Zn(NCS)2 in H2O . The crystal structure was solved with X-ray methods. (Mr= 561.14, space group I 4̄, Z = 8, a = 1894.7(6) pm, c = 1032.4(3) pm, V = 3706.2 · 106 pm3, λ(AgKa) = 55.83 pm, dc = 2.00 g · cm-3, μ(AgKa) = 18.89 cm-1 , F(000) = 2143.8, T = 298 K, final R = 0.0548 for 1475 independent reflections.)The structure consists of two crystallographic independent Zn(NCS)4 tetrahedra, while the Ba2+ cations are surrounded by 9 oxygen atoms of water molecules and 1 sulfur atom of thiocyanate. The crystal water forms one-dimensional chains, consisting of alternant four- and fivemembered rings.

Labilisierung einer Carboxylgruppe der koordinierten Triethylentetramin- N, N, N′,N″, N‴, N‴ -hexaessigsäure (H6ttha): Koordinationszahlen 10 für [La(H ttha)]2- und 9 für [Dy(Httha)]2- in ihren Guanidiniumsalzen / Labilizing of a Carboxyl Group o f the Coordinated Triethylenetetramine-N, N, N′ ,N″, N‴, N‴ - hexaacetic Acid (H6ttha): Coordination Numbers 10 for [La(Httha)]2- and 9 for [Dy(Httha)]2- in their Guanidinium Salts

1996 ◽  
Vol 51 (7) ◽  
pp. 963-968 ◽  
Author(s):  
R. Ruloff ◽  
Petra Prokop ◽  
J. Sieler ◽  
E. Hoyer ◽  
L. Beyer
Keyword(s):  
Crystal Structure ◽  
Coordination Number ◽  
Complex Space ◽  
The Other ◽  
Carboxyl Group ◽  
Carboxylic Group ◽  
Space Group ◽  
X Ray ◽  
Coordination Numbers ◽  
Guanidinium Salts

The lanthanum(III) and dysprosium(III) complexes of triethylenetetramine-N, N, N′, N″, N‴, N‴-hexaacetic acid (H6ttha) were prepared and isolated as guanidinium salts:[C(NH2)3]2[La(Httha)] · 3 H2O and [C(NH2)3]2[Dy(Httha)] · 5 H2O. The X-ray crystal structure of both complexes was determined: In the La(III) complex (space group P1̄) all donor atoms (N4O6) are coordinated. The coordination number 10 is realized in a bicapped square antiprism (SAPRS-10). The bond length La to O of the protonated carboxylic group is ca. 0.3 Å longer than the other five La-O distances. The Dy(III) complex (space group P1̄) exhibits coordination number 9 in a monocapped square antiprism (SAPRS-9). The protonated carboxylic group is not coordinated.

Synthese und Kristallstruklur von Triblei-Diphosphato-Borat-Phosphat, eine Verbindung mit einem 1∞[(PO4)2BPO4]6–-Anion / Synthesis and Crystal Structure of Trilead-Diphosphato-Borate-Phosphate, a Compound with a 1∞[(PO4)2BPO4]6–-Anion

1995 ◽  
Vol 50 (11) ◽  
pp. 1617-1622 ◽  
Author(s):  
C. H. Park ◽  
K. Bluhm
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
One Dimensional ◽  
X Ray

Single crystals of Pb3[(PO4)2BPO4] were obtained by melting B2O3, P2O3 and PbO at 960 °C. The structure is related to the Ba3[(PO4)2BPO4] type. X-ray investigations on single crystals led to the space group Pbca - D152h (Nr. 61) with a = 694.6(1), b = 1419.9(3), c = 2111.6(2) pm, Z = 8 . Boron and phosphorus are tetrahedrally coordinated by oxygen. The polyhedra form one-dimensional infinite helices that contain two additional PO4 groups connected to the BO4-unit. Lead is eightfold coordinated by oxygen. The relation to the crystal structure of Ba3[(PO4)2BPO4] is discussed.

The Crystal Structure of GdZn3

2013 ◽  
Vol 68 (11) ◽  
pp. 1265-1268 ◽  
Author(s):  
Inna Bigun ◽  
Yaroslav M. Kalychak
Keyword(s):  
Crystal Structure ◽  
Coordination Number ◽  
Diffraction Data ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Type Space ◽  
Dimensional Network

The crystal structure of GdZn3 was refined using singlecrystal X-ray diffraction data: YZn3 type, space group Pnma, Z = 4, a = 6:7250(13), b = 4:4620(9), c = 10:201(2) Å , R1 = 0:049, wR2 = 0:082, 303 F2 values, 25 variables. The zinc atoms build up a three-dimensional network with short Zn-Zn distances, while the Gd atoms are well separated from each other. The coordination number is 17 for Gd, and 10 and 12 for the Zn atoms.

Crystal structure of an inclusion complex between chiral monoaza-15-crown-5 and S(–)-1-phenyl-ethyl ammonium percholorate

2003 ◽  
Vol 218 (5) ◽  
Author(s):  
Süheyla Özbey ◽  
F. B. Kaynak ◽  
M. Toğrul ◽  
N. Demirel ◽  
H. Hoşgören
Keyword(s):  
Crystal Structure ◽  
Inclusion Complex ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Type

AbstractA new type of inclusion complex, S(–)-1 phenyl ethyl ammonium percholorate complex of R-(–)-2-ethyl - N - benzyl - 4, 7, 10, 13 - tetraoxa -1- azacyclopentadecane, has been prepared and studied by NMR, IR and single crystal X-ray diffraction techniques. The compound crystallizes in space group

scholarly journals Molekül- und Kristallstruktur von 1.1-Dimethylsilylentitanocendichlorid, (CH3)2Si(C5H4)2TiCl2 / Molecular and Crystal Structure of l,r-Dimethylsilylene Titanocene Dichloride, (CH3)2Si(C5H4)2TiCl2

1981 ◽  
Vol 36 (10) ◽  
pp. 1208-1210 ◽  
Author(s):  
Hartmut Köpf ◽  
Joachim Pickardt
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Structure Determination ◽  
Titanocene Dichloride ◽  
Molecular And Crystal Structure ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Space Group ◽  
X Ray ◽  
Structural Dimensions

Abstract The molecular structure of the bridged [1]-titanocenophane 1,1'-dimethylsilylene titanocene dichloride, (CH3)2Si(C5H4)2TiCl2, has been investigated by an X-ray structure determination. Crystal data: monoclinic, space group C2/c, Z = 4, a = 1332.9(3), 6 = 988.7(3), c = 1068.9(3) pm, β = 113.43(2)°. The results are compared with the structural dimensions of similar compounds: 1,1'-methylene titanocene dichloride, CH2(C5H4)TiCl2, with the unbridged titanocene dichloride, (C5H5)2TiCl2 and the ethylene-bridged compound (CH2)2(C5H4)2TiCl2

Crystal structure determination of the conformation of two bicyclo[3.3.1]nonan-ones

1985 ◽  
Vol 63 (6) ◽  
pp. 1166-1169 ◽  
Author(s):  
John F. Richardson ◽  
Ted S. Sorensen
Keyword(s):  
Crystal Structure ◽  
Direct Methods ◽  
Chair Conformation ◽  
Molecular Structures ◽  
Boat Conformation ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Final Agreement

The molecular structures of exo-7-methylbicyclo[3.3.1]nonan-3-one, 3, and the endo-7-methyl isomer, 4, have been determined using X-ray-diffraction techniques. Compound 3 crystallizes in the space group [Formula: see text] with a = 15.115(1), c = 7.677(2) Å, and Z = 8 while 4 crystallizes in the space group P21 with a = 6.446(1), b = 7.831(1), c = 8.414(2) Å, β = 94.42(2)°, and Z = 2. The structures were solved by direct methods and refined to final agreement factors of R = 0.041 and R = 0.034 for 3 and 4 respectively. Compound 3 exists in a chair–chair conformation and there is no significant flattening of the chair rings. However, in 4, the non-ketone ring is forced into a boat conformation. These results are significant in interpreting what conformations may be present in the related sp2-hybridized carbocations.

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