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).

The X-ray crystal structure of rapamycin, C51H79NO13

1978 ◽  
Vol 56 (18) ◽  
pp. 2491-2492 ◽  
Author(s):  
D. C. Neil Swindells ◽  
Peter S. White ◽  
John A. Findlay
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Macrolide Antibiotic ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Antifungal Antibiotic ◽  
X Ray Crystallography ◽  
New Type

The antifungal antibiotic Rapamycin crystallises in the orthorhombic space group P212121 with a = 34.85(2), b = 13.08(1), c = 12.25(1) Å. The molecular structure has been determined by X-ray crystallography to be a completely new type of macrolide antibiotic of formula C51H79NO13.

Crystal structure of the anticancer drug carmustine determined by X-ray powder diffraction

2021 ◽  
pp. 1-3
Author(s):  
Carina Schlesinger ◽  
Edith Alig ◽  
Martin U. Schmidt
Keyword(s):  
Crystal Structure ◽  
Anticancer Drug ◽  
Powder Diffraction ◽  
Room Temperature ◽  
Powder Diffraction Data ◽  
Orthorhombic Space Group ◽  
Commercial Sample ◽  
One Dimensional ◽  
X Ray ◽  
Hydrogen Bond Pattern

The structure of the anticancer drug carmustine (1,3-bis(2-chloroethyl)-1-nitrosourea, C5H9Cl2N3O2) was successfully determined from laboratory X-ray powder diffraction data recorded at 278 K and at 153 K. Carmustine crystallizes in the orthorhombic space group P212121 with Z = 4. The lattice parameters are a = 19.6935(2) Å, b = 9.8338(14) Å, c = 4.63542(6) Å, V = 897.71(2) ų at 153 K, and a = 19.8522(2) Å, b = 9.8843(15) Å, c = 4.69793(6) Å, V = 921.85(2) ų at 278 K. The Rietveld fits are very good, with low R-values and smooth difference curves of calculated and experimental powder data. The molecules form a one-dimensional hydrogen bond pattern. At room temperature, the investigated commercial sample of carmustine was amorphous.

scholarly journals β-Y(BO2)3 – a new member of the β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu) structure family

2017 ◽  
Vol 72 (12) ◽  
pp. 983-988 ◽  
Author(s):  
Martin K. Schmitt ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Abstractβ-Y(BO2)3 was synthesized in a Walker-type multianvil module at 5.9 GPa/1000°C. The crystal structure has been elucidated through single-crystal X-ray diffraction. β-Y(BO2)3 crystallizes in the orthorhombic space group Pnma (no. 62) with the lattice parameters a=15.886(2), b=7.3860(6), and c=12.2119(9) Å. Its crystal structure will be discussed in the context of the isotypic lanthanide borates β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu).

Crystal Structure, Spectroscopic and Redox Properties of Copper(II) Bis{2-[(2,6-dimethylphenyl)iminomethyl-3-methoxyphenolate]}

2007 ◽  
Vol 62 (9) ◽  
pp. 1133-1138 ◽  
Author(s):  
Veli T. Kasumov ◽  
Ibrahim Uçar ◽  
Ahmet Bulut ◽  
Fevzi Kösal
Keyword(s):  
Crystal Structure ◽  
Title Complex ◽  
Redox Properties ◽  
Orthorhombic Space Group ◽  
Long Distance ◽  
X Ray ◽  
X Ray Crystallography ◽  
Square Planar ◽  
Planar Molecules ◽  
Exchange Interaction Parameter

The coordination chemistry of N-(2,6-di-methylphenyl)-2-hydroxy-3-methoxybenzaldimine (1) with Cu(II) has been investigated by X-ray crystallography, electronic and EPR spectroscopies, as well as by electro- and magnetochemistry. The title complex 2 crystallizes in the orthorhombic space group P212121 (a = 8.1538, b = 17.7466, c =19.8507 Å). The mononuclear square-planar molecules 2 featuring trans-N2O2 coordination are connected via weak intermolecular C-H· · ·π interactions into infinite chains parallel to the a axis. Although the intermolecular Cu· · ·Cu separations within individual chains and between chains are very long (8.154 and 9.726 Å ), the exchange interaction parameter G = 2.03 < 4, estimated from solid state EPR spectra, suggests the existence of long-distance superexchange pathways between adjacent Cu(II) centers. The electronic and electrochemical features of the compound are also discussed.

scholarly journals Synthesis, Crystal Structure and Magnetic Behaviour of Dimeric and Polymeric Gadolinium Trifluoroacetate Complexes

2006 ◽  
Vol 61 (6) ◽  
pp. 699-707 ◽  
Author(s):  
Daniela John ◽  
Alexander Rohde ◽  
Werner Urland
Keyword(s):  
Crystal Structure ◽  
Magnetic Behaviour ◽  
Magnetic Data ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Temperature Range ◽  
X Ray Crystallography ◽  
Carboxylate Groups

The gadolinium(III) trifluoroacetates ((CH3)2NH2)[Gd(CF3COO)4] (1), ((CH3)3NH)[Gd(CF3 COO)4(H2O)] (2), Gd(CF3COO)3(H2O)3 (3) as well as Gd2(CF3COO)6(H2O)2(phen)3 · C2H5OH (4) (phen = 1,10-phenanthroline) were synthesized and structurally characterized by X-ray crystallography. These compounds crystallize in the space group P1̅ (No. 2, Z = 2) (1, 2 and 4) and P 21/c (No. 14, Z = 4) (3), respectively, with the following lattice constants 1: a = 884.9(2), b = 1024.9(2), c = 1173.1(2) pm, α = 105.77(2), β = 99.51(2), γ = 107.93(2)°; 2: a = 965.1(1), b = 1028.6(1), c = 1271.3(2) pm, α = 111.83(2), β = 111.33(2), γ = 90.44(2)°; 3: a = 919.6(2), b = 1890.6(4), c = 978.7(2) pm, β = 113.94(2)°; 4: a = 1286.7(8), b = 1639.3(8), c = 1712.2(9) pm, α = 62.57(6), β = 84.13(5), γ = 68.28(5)°. The compounds consist of Gd3+ ions which are bridged by carboxylate groups either to chains (1 and 2) or to dimers (3 and 4). In addition to the Gd3+ dimers, compound (4) also contains monomeric Gd3+ units. The magnetic behaviour of 2 and 3 was investigated in a temperature range of 1.77 to 300 K. The magnetic data for these compounds indicate weak antiferromagnetic interactions

scholarly journals Synthesis, Crystal Structure, and Fluorescence Properties of Dinuclear and Tetranuclear Zinc(II) Complexes Based on 2-(2’-Hydroxyphenyl)-2-oxazoline

2015 ◽  
Vol 18 (3) ◽  
pp. 155-158 ◽  
Author(s):  
Yuan Zhou ◽  
Qiming Liu ◽  
Yuao Zhang
Keyword(s):  
Crystal Structure ◽  
Fluorescence Emission ◽  
Emission Spectra ◽  
Methanol Solution ◽  
Ligand Complex ◽  
Fluorescence Emission Spectra ◽  
Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
Strong Luminescence

Two new zinc(II) complexes have been prepared by reaction of 2-(2’-Hydroxyphenyl)-2-oxazoline(Hoz) with Zn(acac)2 and ZnCl2 respectively. The complexes are characterized by IR and X-ray crystallography. Complex 1 is dinuclear zinc structure bridged by the oxygen atoms from oz- ligand and acac- ligand as terminal chelating ligand. Complex 2 is tetranuclear zinc structure bridged by both μ2-oxygen from oz- ligand and μ3-methoxide. 1 crystalizes in P21 space group with crystallographic parameters: a=9.3842Å19), b=13.5840 Å30), c=11.1380 Å20), β=96.250°(30). 2 crystalizes in P-1 space group with crystallographic parameters: a=9.5517Å(19), b=11.1234Å(22), c=11.1826Å(22), α=102.820°(30), β=114.988°(30), γ=100.806°(30). The UV absorption and fluorescence emission spectra are measured on the methanol solution and solid state of complex 1 and it shows strong luminescence.

Notizen: Die Kristallstruktur von Rb2Ca(N3)4 · 4 H2O / The Crystal Structure of RB2Ca(N3)4 · 4 H2O

1988 ◽  
Vol 43 (4) ◽  
pp. 497-498
Author(s):  
Franz A. Mautner ◽  
Harald Krischner ◽  
Christoph Kratky
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Ray Methods

Abstract The crystal structure of Rb2Ca(N3)4 · 4H2O has been determined by single crystal X-ray methods. The compound is isotypic with K2Ca(N3)4 · 4 H2O and crystallizes in the orthorhombic space group Ccca, Z = 4, a = 1949.1(12) pm, b = 1099.5(3) pm, c - 622.2(1) pm.

The X-Ray Crystal Structure of 1,2-3,4-Di-O-isopropylidene-4-C-methylthiomethoxy-β-L-arabino-hexoseptanos-5-ulose

1990 ◽  
Vol 43 (12) ◽  
pp. 2083 ◽  
Author(s):  
DC Craig ◽  
VJ James ◽  
JD Stevens
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Membered Ring ◽  
Boat Conformation ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

The crystal structure of the title compound (1) has been determined by X-ray diffraction. Crystals of (1) are orthorhombic, space group P21212 with a 11.425(1), b 24.916(1), c 5.8952(3)Ǻ, Z 4. Refinement on 1675 observed reflections measured with Cu Kα radiation converged at R 0.034. The seven- membered ring adopts a boat conformation in which the pseudo plane of symmetry passes through the ring oxygen.

The Constituents of Marine Sponges. V. The Isolation From Chelonaplysilla violacea (Dendroceratida) of Aplyviolene and Other Diterpenes, and the Determination of the Crystal Structure of Aplyviolene

1990 ◽  
Vol 43 (11) ◽  
pp. 1861 ◽  
Author(s):  
TW Hambley ◽  
A Poiner ◽  
WC Taylor
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Marine Sponge ◽  
Marine Sponges ◽  
Spectroscopic Methods ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Deep Violet

From the deep violet, encrusting marine sponge Chelonaplysilla violacea, two rearranged spongian diterpenes, aplyviolene, (1R*,1′S*,3?aR*,5R*,6R*,8R*,8′aS*)-3-oxo-8-(1′,4′,4′-trimethyl-8′-methylenedecahydroazulen-1′-yl)-2,7-dioxabicyclo[3.2.1]oct-6-yl acetate (1), the acetoxy derivative, aplyviolacene (2), (5R*,8S*,9S*,10R*,13S*,14R* ,15S*,16R*)-spongian-15,16-diyl diacetate (3) and (5R*,8S*,9S*,10R*,13S*,14R*)-spongian-16-one (4) were isolated. The structures were determined by spectroscopic methods, and the structure of aplyviolene was confirmed by a single-crystal X-ray determination. The crystal structure was refined to a residual of 0.036 for 1125 independent observed reflections. The crystals were orthorhombic, space group P212121 with a 8.098(1), b 11.628(1), c 21.774(3)Ǻ.

Preparation and X-Ray Crystal-Structure of 4,4'-Triselenobis(pent-3-en-2-one)

1988 ◽  
Vol 41 (10) ◽  
pp. 1601 ◽  
Author(s):  
AP Arnold ◽  
KJ Cavell ◽  
AJ Edwards ◽  
BF Hoskins ◽  
EJ Peacock
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Selenium Atom ◽  
Hydrogen Selenide ◽  
Unusual Structure ◽  
Coordination Environment ◽  
Space Group ◽  
X Ray ◽  
X Ray Crystallography ◽  
Sodium Hydrogen

The title compound was prepared by the reaction of sodium hydrogen selenide with 4-chloropent-3-en-2-one. The compound appears unstable with respect to higher oligomers of the SeC (CH3)CHC(CH3)O ( seacac ) unit. X-ray crystallography reveals the unusual structure in which a central 'complexed' selenium atom is coordinated to the two selenium atoms of the seacac ligands which are in their normal cis conformations. The oxygen atoms are uncoordinated and as far removed from the coordination environment of the central selenium atom as possible. Crystals of Se( seacac )2 are orthorhombic with space group P21212, and cell dimension a 9.761(2), b 14.828(3) and c 4.6447(5)Ǻ.

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