Methansulfinylchlorid-Lewissäure-Addukte CH3S(Cl)OMF5 (M = As, Sb) und Kristallstruktur von CH3S(Cl)OSbCl5 [1] / Methanesulfinylchloride Lewis Acid Adducts CH3S(Cl)OMF5 (M = As, Sb) and Crystal Structure of CH3S(Cl)OSbCl5 [1]

1996 ◽  
Vol 51 (1) ◽  
pp. 133-138 ◽  
Author(s):  
Rolf Minkwitz ◽  
Ulrike Lohmann ◽  
Hans Preut
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Lewis Acid ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Space Group ◽  
New Compounds ◽  
Lewis Acid Adducts

Abstract CH3S(0)C1 reacts in HF as solvent with MF5 (M = As, Sb) to give products CH3S(Cl)OMF5 (M = As, Sb). The new compounds are stable below 253 K and were charac­ terized by Raman and NMR spectroscopy.In addition, the crystal structure of CH3S(Cl)OSbCl5 has been determinated. The complex crystallizes in the monoclinic space group P21/n with a = 644.3(5), b = 1905.9(14), c = 900.0(7) pm, β = 99.27(6)° with four formula units per unit cell.

Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

2015 ◽  
Vol 70 (3) ◽  
pp. 191-196 ◽  
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Determination ◽  
Monoclinic Space Group ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters ◽  
New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

Primäre und sekundäre Ethyl-und i-Propylsulfoniumsalze sowie Kristallstruktur von i-C3H7SH2+SbF6- [1]

1996 ◽  
Vol 51 (2) ◽  
pp. 277-285
Author(s):  
Rolf Minkwitz ◽  
Ulrike Lohmann ◽  
Hans Preut
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Bond Distance ◽  
Crystal Structure Analysis ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Spectroscopic Methods ◽  
Sulfonium Salt ◽  
Space Group

Abstract The synthesis of salts of the type RnSH3-n+MF6- (R = C2H5, i-C3H7; n = 1, 2; M = As, Sb) by protonation of the corresponding thiols and sulfides in the superacid systems HF/MF5 is reported. The salts have been characterized by vibrational and NMR spectroscopic methods. Isopropylsulfonium hexafluoroantimonate is the first known example of a sulfonium salt, for which a SH bond distance has been determined by a crystal structure analysis, i-C3H7SH2+SbF6- crystallizes in the monoclinic space group P21/m with a = 568.0(4), b = 801.1(6), c = 1019.7(8) pm, β = 82.63(6) °, with two formula units per unit cell.

Anionische Komplexe [Mo2(O2CPh)4X2]2⊖ mit X = N3, Cl, Br. Die Kristallstruktur von (PPh4)2[Mo2(O2CPh)4Cl2] · 2CH2Cl2 / Anionic Complexes [Mo2(O2C-Ph)4X2]2⊖ with X = N3, Cl, Br. The Crystal Structure of (PPh4)2[Mo2(O2C-Ph)4Cl2] · 2CH2Cl2

1985 ◽  
Vol 40 (1) ◽  
pp. 13-18 ◽  
Author(s):  
Kay Jansen ◽  
Kurt Dehnicke ◽  
Dieter Fenske
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Diffraction Data ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Anionic Complexes

The syntheses and IR spectra of the complexes [Mo2(O2C-Ph)4X2]2⊖ with X = N3, CI, Br and the counter ion PPh4⊕ are reported. The azido and the bromo complexes are obtained from a solution of [Mo2(O2CPh)4] with PPh4N3 in pyridine or by reaction with PPh4Br in CH2Br2, respectively. When (PPh4)2[Mo2(O2CPh)4(N3)2] is dissolved in CH2Cl2, nitrogen is evolved and the complex with X = CI is obtained. The crystal structure of (PPh4)2[Mo2(O2CPh)4Cl2] · 2CH2Cl2 was determined from X-ray diffraction data (5676 observed independent reflexions, R = 0.042). It crystallizes in the monoclinic space group P21/n with four formula units per unit cell; the lattice constants are a = 1549, b = 1400, c = 1648 pm, β = 94.6°. The centrosymmetric [Mo2(O2CPh)4Cl2]2⊖ ion has a rather short Mo-Mo bond of 213 pm, whereas the MoCl bonds are very long (288 pm)

Notizen: Eine neue bicyclische Zinn-Selen-Verbindung. Synthese und Kristallstruktur von [{Cp(CO)2Fe}3ClSn3Se4] / A New Bicyclic Tin Selenium Compound. Synthesis and Crystal Structure of [{Cp(CO)2Fe}3ClSn3Se4]

1993 ◽  
Vol 48 (7) ◽  
pp. 1009-1012 ◽  
Author(s):  
Kurt Merzweiler ◽  
Harald Kraus
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Selenium Compound ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Compound Synthesis

[{Cp(CO)2Fe}SnCl3] reacts with Na2Se in THF to form the compound [{Cp(CO)2Fe}3ClSn3Se4] 1. 1 crystallizes in the monoclinic space group P21/n with 4 formula units per unit cell. The lattice constants are α = 1435.2(7), b = 1124.4(4), c = 1972.7(12) pm, β = 94.59(4)°. According to the X-ray structure determination 1 contains a bicyclic Sn3Se4 framework.

NTO Polymorphs

1992 ◽  
Vol 296 ◽  
Author(s):  
Kien-yin Lee ◽  
Richard Giloxdi
Keyword(s):  
Crystal Structure ◽  
Cell Density ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Triclinic Space Group ◽  
Space Group ◽  
Monoclinic Form ◽  
Network Of Hydrogen Bonds ◽  
Air Bag ◽  
Ray Methods

AbstractNTO is an explosive of current interest. It has been evaluated as an insensitive component to replace RDX in the bomb fill, and as a major ingredient for the auto air bag system. The crystal structure of the β from of NTO has been determined by single-crystal X-ray methods. The unit cell is monoclinic, space group P21/c, with a = 9.326, b = 5.515, c = 9.107 Å, β = 100.77°. There are four molecules in the cell, density 1.878 g/cm3. Infinite extension of H-bonding in two-dimensional sheets occurs in the monoclinic form. Bond lengths and angles all have normal values.Efforts have been made to determine the crystal structure of α-NTO. However, a structure refined only to R = 17% was obtained, probably due to some kind of twinning about the crystal needle axis. The unit cell is triclinic, space group P1, with a = 5.12, b = 10.30, c = 17.9 Å, α = 106.7°, β= 97.7°, γ = 90.2°. There are eight molecules in the cell, density 1.92 g/cm3. Ribbons of NTO molecules formed by a relatively strong network of hydrogen bonds are observed. It was found that α-NTO is the stable, dominating form. A variety of techniques have been chosen to identify the two polymorphs.

Crystal structures of phenacylkojate (2-(hydroxymethyl)-5-phenacyloxy-4H-pyran-4-one) and its complex with sodium chloride: bis(phenacylkojate)sodium chloride

1976 ◽  
Vol 54 (17) ◽  
pp. 2723-2732 ◽  
Author(s):  
Simon E. V. Phillips ◽  
James Trotter
Keyword(s):  
Crystal Structure ◽  
Sodium Chloride ◽  
Potassium Iodide ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Hydroxyl Groups ◽  
Space Group ◽  
Cell Dimensions ◽  
Unit Cell Dimensions ◽  
Iodide Complex

The structures of the title compounds have been determined by three dimensional X-ray crystal structure analysis.Crystals of anhydrous phenacylkojate are monoclinic, space group P21/c, with unit cell dimensions a = 9.087(4), b = 11.764(3), c = 12.714(4) Å, β = 116.57(2)°, Z = 4. The structure was solved by direct methods and refined by full-matrix least-squares to R = 0.044 for 1225 independent diffractometer observations. The crystal structure is held together by hydrogen bonding between carbonyl and hydroxyl groups and [Formula: see text] interactions.Crystals of the sodium chloride complex are monoclinic, space group C2/c, with unit cell dimensions a = 11.3714(6), b = 15.796(1), c = 14.487(1) Å, β = 97.241(5)°, Z = 4. The structure was solved by heavy atom and Fourier methods and comparison with the previously determined structure of the potassium iodide complex. It was refined to R = 0.040 for 1670 independent diffractometer observations. The structure closely resembles that of the potassium iodide complex (P21/n), but in C2/c, the alkali metal ion being eight co-ordinate in each. Na+—O distances are in the range 2.558–2.674 Å and the [Formula: see text] hydrogen bonded distance is 3.266 Å.

scholarly journals Crystal structure of catena-poly[[(μ-6-{[bis(pyridin-2-ylmethyl)amino]methyl}pyridine-2-carboxylato)copper(II)] perchlorate acetonitrile monosolvate]

2019 ◽  
Vol 75 (6) ◽  
pp. 789-793
Author(s):  
Giacomo Cioncoloni ◽  
Claire Wilson ◽  
Isolda Roger ◽  
Mark D. Symes
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Crystal Packing ◽  
Complex Molecule ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Two Component ◽  
Packing Arrangement ◽  
Amine Ligand

The crystal structure of the title compound, {[Cu(C19H17N4O2)]ClO4·C2H3N} n , is reported and compared to similar structures in the literature. The compound crystallizes in the monoclinic space group P21. The unit cell contains one complex molecule in addition to perchlorate as the counter-ion and solvent (acetonitrile). The crystal packing evinces extended chains whereby the carboxylate moiety on the 6-carboxylato-2-(pyridylmethyl)bis(pyridin-2-ylmethyl)amine ligand bridges between two different copper centers in adjacent molecules. This packing arrangement for the title compound appears to be unique when compared to allied structures in the literature. The perchlorate anion showed signs of disorder and its oxygen atoms were modelled over two sets of partially occupied sites, the occupancy of which was competitively refined to 0.564 (12)/0.436 (12). The crystal studied was refined as a two-component inversion twin.

The Crystal Structure of [(Quinoline)2CuI]2 · CH3CN

1984 ◽  
Vol 39 (7) ◽  
pp. 861-863 ◽  
Author(s):  
Wolfgang Hiller
Keyword(s):  
Crystal Structure ◽  
Copper Atom ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Space Group

The unit Cell of [(quinoline)2CuI]2 · CH3CN is monoclinic, space group C2/c, with a = 1974.0(4), b = 764 .4 (2), c = 2521 .7 (4) pm, β = 112.64(6)° and Z = 4. The structure consists of discrete dimers with a strictly planar Cu2I2 moiety . Each copper atom is coordinated to two bridging iodine atoms and two terminal quinoline ligands. The unit cell contains four acetonitrile molecules.

The crystal structure of Cu2GeSe3 and the structure-types of the I2-IV-VI3 family of semiconducting compounds

2021 ◽  
Vol 77 (1) ◽  
pp. 158-167
Author(s):  
Analio Dugarte-Dugarte ◽  
Nahum Ramírez Pineda ◽  
Luis Nieves ◽  
José Antonio Henao ◽  
Graciela Díaz de Delgado ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Orthorhombic Space Group ◽  
Initial Report ◽  
Space Group ◽  
Cell Parameters ◽  
Semiconducting Compounds ◽  
Bond Valence Model

Almost 50 years after the initial report, the crystal structure of Cu2GeSe3, a I2-IV-VI3 semiconductor, has been revised using modern single-crystal X-ray diffraction data. The structure of this material can be properly described in the monoclinic space group Cc (No. 9) with unit-cell parameters a = 6.7703 (4) Å, b = 11.8624 (5) Å, c = 6.7705 (4) Å, β = 108.512 (6)°, V = 515.62 (5) Å3, Z = 4, rather than in the orthorhombic space group Imm2 (No. 44) with unit-cell parameters a = 11.860 (3), b = 3.960 (1), c = 5.485 (2) Å, V = 257.61 Å3, Z = 2, as originally proposed [Parthé & Garín (1971). Monatsh. Chem. 102, 1197–1208]. Contrary to what was observed in the orthorhombic structure, the distortions of the tetrahedra in the monoclinic structure are consistent with the distortions expected from considerations derived from the bond valence model. A brief revision of the structures reported for the I2-IV-VI3 family of semiconducting compounds (I: Cu, Ag; IV: Si, Ge, Sn; and VI: S, Se, Te) is also presented.

Molecular and crystal structure of a copper(II) complex of sildenafil

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Akhmatkhodja N. Yunuskhodjayev ◽  
Shokhista F. Iskandarova ◽  
Vahobjon Kh. Sabirov
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Piperazine Ring ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Abstract The crystal structure of a copper(II) complex of protonated sildenafil, CuCl3C22H31N6O4S⋅2H2O was studied by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P21/n with the unit cell parameters a = 15.4292(2), b = 9.06735(12), c = 21.1752(2) Å, V = 2945.48(7) Å3, Z = 4. The Cu atom is coordinated by the sildenafil ligand via the N2 atom of the pyrazolopyrimidine ring and by three chloride anions. Sildenafil is protonated at the methylated N6 atom of the piperazine ring and it is cation ligand with a 1+ charge.

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