Synthesis and Crystal Structure of Tetra(n-butyl)ammonium Hydroxomethoxophthalocyaninato(2-)iridate(III) Methanol Solvate

1999 ◽  
Vol 03 (03) ◽  
pp. 169-171 ◽  
Author(s):  
HEINER HÜCKSTÄDT ◽  
HEINER HOMBORG
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Ammonium Hydroxide ◽  
Complex Salt ◽  
Strong Hydrogen Bond ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Cell Parameters

Bis(phthalocyaninato(2-)iridium(II)) reacts in methanol with excess tetra(n-butyl)ammonium hydroxide to yield tetra(n-butyl)ammonium hydroxomethoxophthalocyaninato(2-)iridate(III). The complex salt crystallizes as a methanol solvate in the monoclinic space group P21/n(No. 14) with cell parameters a = 12.510(1) Å, b = 19.561(3) Å, c = 18.489(2) Å, = 90.42(1) °, Z = 4. The Ir atom is hexacoordinated with four isoindole N atoms ( N iso ) of the severely saddled pc ligand and two O atoms of the hydroxide ( O 1) and methoxide ( O2 ) ligand respectively in a mutual trans arrangement. The average Ir-N iso distance is 1.981(5) Å, the Ir-O1 distance 2.038(7) Å and the Ir-O2 distance 2.061(6) Å. The O atom of the solvate ( O3 ) is bound to O2 by a strong hydrogen bond with an O2 - O3 distance of 2.60(1) Å.

scholarly journals The Synthesis and Crystal Structure of N-tert-Butyl-3-(tert-butylimino)-2-nitropropen-1 -amine

1993 ◽  
Vol 48 (8) ◽  
pp. 1138-1142 ◽  
Author(s):  
Daryl L. Ostercamp ◽  
Lisa M. Preston ◽  
Kay D. Onan
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Solid State ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Tert Butyl ◽  
Intramolecular Hydrogen ◽  
Hydrolysis Of

The unit cell of N-tert-butyl-3-(tert-butylimino)-2-nitropropen-1-amine (4) is monoclinic, space group P21/C, with a = 9.669(4), b = 16.415(6), c = 17.341 (7) Å, and Z = 4. Hydrolysis of 4 leads to (E)-3-(N-tert-butylamino)-2-nitro-2-propenal (5), whose unit cell is monoclinic, space group P21/n, with a = 6.821(1), b = 20.707(6), c = 6.303(1)Å, and Z = 4. Compounds 4 and 5 both possess C2 symmetry in the solid state, their “U-shaped” conjugated cores being essentially planar. In each case this planarity is enforced by an intramolecular hydrogen bond.

Synthesis and Crystal Structure of 2,4,6-Triphenylpyrylium Acetonato(C)chlorophthalocyaninato(2–)iridate(III) Monohydrate

1998 ◽  
Vol 02 (03) ◽  
pp. 269-272 ◽  
Author(s):  
HEINER HÜCKSTÄDT ◽  
HEINER HOMBORG
Keyword(s):  
Crystal Structure ◽  
Monoclinic Space Group ◽  
Trans Position ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Cell Parameters ◽  
Cl Atom

Phthalocyaninato(2–)iridate(I) is oxidized by air in acetone to form acetonato(C)chlorophthalocyaninato(2–)iridate(III) in the presence of chloride. The anion is isolated as its 2,4,6-triphenylpyrylium salt, ( TPPy )[ Ir ( aC )( Cl ) Pc 2−]. Its monohydrate crystallizes in the monoclinic space group P1n1 (#7). The cell parameters are a = 12.452(3) Å, b = 12.339(3) Å, c = 15.352(4) Å, β = 100.75(2) °, Z = 2. Hexa-coordinated Ir is located slightly out of the centre (ct) of the Pc core (d( Ir-ct ) = 0.02 Å) and directed towards the acetonato C atom. It coordinates four isoindole N atoms ( N iso ) together with a Cl atom and a C-bonded acetonate in a mutual trans position. The average Ir – N iso distance is 1.966 Å;, the Ir – Cl distance is 2.501(5) Å; and the Ir –C distance is 2.11(2) Å.

scholarly journals Synthesis and crystal structure of N,N′-bis(4-chlorophenyl)thiourea N,N-dimethylformamide

2021 ◽  
Vol 19 (1) ◽  
pp. 511-517
Author(s):  
Ayodele T. Odularu ◽  
Peter A. Ajibade ◽  
Opeoluwa O. Oyedeji ◽  
Johannes Z. Mbese ◽  
Horst Puschmann
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Mild Condition ◽  
Monoclinic Space Group ◽  
Slow Evaporation ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Cell Parameters

Abstract This study is about the synthesis of N,N′-bis(4-chlorophenyl)thiourea N,N-dimethylformamide (C16H17Cl2N3OS) compound. Single crystals of the compound were obtained by slow evaporation of N,N′-bis(4-chlorophenyl)thiourea (C13H10Cl2N2S) in N,N-dimethylformamide (C3H7NO; DMF) through recrystallization under mild condition. Important classical N–H⋯O links the two molecules together. Results revealed that C16H17Cl2N3OS crystallized in the monoclinic space group P21/c with the respective cell parameters of a = 92,360 (4) Å, b = 7.2232 (3) Å, 25.2555 (11) Å, β = 91.376 (3), α = γ = 90°, V = 1684.40 (12) Å3, T = 119.94 (13) K and Z = 4 and Z′ = 1.

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.

Cyclisierung von Amidoximen mit Oxybis(diphenylboran) / Cyclization of Amidoximes with Oxybis(diphenylborane)

1991 ◽  
Vol 46 (9) ◽  
pp. 1219-1222 ◽  
Author(s):  
Hans Möhrle ◽  
Karin Bluhme-Hensen ◽  
Birgit Middelhauve ◽  
Dietrich Mootz ◽  
Hartmut Wunderlich
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Structure Analysis ◽  
Heterocyclic Ring ◽  
Crystal Structure Analysis ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Bifurcated Hydrogen Bond ◽  
Boron Heterocycles

Substituted amidoximes when reacted with oxybis(diphenylborane) do not yield ester chelates as main products but boron heterocycles. The compound obtained from p-toluamidoxime was found by crystal structure analysis to be 2-phenyl-4-(4-methylphenyl)-2,3-dihydro-1,3,5,2-oxadiazaborol (9). The conformation of the molecule is determined by angles of 29.1 and 24.4° between the planes of adjacent rings. Except N–O all bonds in the heterocyclic ring contain significant π character. Molecules are linked to chains by a weak bifurcated hydrogen bond. 9 crystallizes with the monoclinic space group P21/c, Ζ = 4, a = 5.574(2), b = 18.274(4), c = 12.754(4) Å, β = 106.41(2)°. Refinement of 227 parameters using 1709 observed reflections converged at R = 0.037.

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.

Synthesis and crystal structure of the rare earth borogermanate EuGeBO5

2017 ◽  
Vol 72 (2) ◽  
pp. 95-99 ◽  
Author(s):  
Yang Chi ◽  
Yan Zhuang ◽  
Sheng-Ping Guo
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Earth Metal ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Synthesis And Crystal Structure ◽  
Cell Parameters ◽  
Type Layer ◽  
Related Compounds ◽  
The Rare Earth

AbstractThe synthesis and crystal structure of the rare earth borogermanate EuGeBO5 are reported. It is synthesized by high-temperature solid-state reaction and crystallizes in the monoclinic space group P21/c (no. 14) with the unit cell parameters a=4.8860(5), b=7.5229(8), c=9.9587(10) Å, and β=91.709(3)°. Its crystal structure features a polyanion-type layer (GeBO5)3− constructed by BO4 and GeO4 tetrahedra connected alternatingly. Eu3+ ions are located in cavities and are coordinated by eight O atoms. Various structures of the related compounds REMM′O5 (RE=rare earth metal; M=Si, Ge, and Sn; M′=B, Al, and Ga) are also discussed.

Darstellung und Kristallstruktur von [(Me3Si)2CH(i-Pr)InCl]2 / Synthesis and Crystal Structure of [(Me3Si)2CH(i-Pr)InCl]2

1991 ◽  
Vol 46 (11) ◽  
pp. 1539-1543 ◽  
Author(s):  
Bernhard Neumüller
Keyword(s):  
Crystal Structure ◽  
Mass Spectrometry ◽  
Solid State ◽  
Title Compound ◽  
Unit Cell ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Cell Parameters

The title compound 1 has been prepared by the reaction of i-PrInCl2 with LiCH(SiMe3)2 in diethylether at -30 °C. The colorless substance 1 was characterized by NMR, IR, and RE spectroscopy, as well as by mass spectrometry. 1 is dimer in solution and the solid state and crystallizes in the space group P21/c with the cell parameters a = 1206.4(3) pm, b = 905.7(2) pm, c = 1591.2(5) pm, and β = 101.18(2)°. The unit cell contains two centrosymmetrical dimeric molecules.

Preparation and crystal structure of SbV1.50InIII0.50(PO4)3 and (SbV0.50InIII0.50)P2O7

2008 ◽  
Vol 23 (3) ◽  
pp. 232-240
Author(s):  
Abderrahim Aatiq ◽  
Rachid Bakri ◽  
Aaron Richard Sakulich
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Room Temperature ◽  
Rietveld Method ◽  
Monoclinic Space Group ◽  
Unit Cell Parameters ◽  
Orthorhombic System ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Synthesis and structure of two phosphates belonging to the ternary Sb2O5–In2O3–P2O5 system are realized. Structures of SbV1.50InIII0.50(PO4)3 and (SbV0.50InIII0.50)P2O7 phases, obtained by solid state reaction in air at 950 °C, were determined at room temperature from X-ray powder diffraction using the Rietveld method. SbV1.50InIII0.50(PO4)3 have a monoclinic (space group P21/n) distortion of the Sc2(W O4)3-type framework. Its structure is constituted by corner-shared SbO6 or InO6 octahedra and PO4 tetrahedra. Monoclinic unit cell parameters are a=11.801(2) Å, b=8.623(1) Å, c=8.372(1) Å, and β=90.93(1)°. (Sb0.50In0.50)P2O7 is isotypic with (Sb0.50Fe0.50)P2O7 and crystallizes in orthorhombic system (space group Pna21) with a=7.9389(1) Å, b=16.0664(2) Å, and c=7.9777(1) Å. Its structure is built up from corner-shared SbO6 or InO6 octahedra and P2O7 groups (two group-types). Each P2O7 group shares its six vertices with three SbO6 and three InO6 octahedra, and each octahedron is connected to six P2O7 groups.

scholarly journals Synthesis and Single Crystal X-Ray Structure of New (2E)-2-[3-(1H-Imidazol-1-yl)-1-phenylpropylidene]-N-phenylhydrazinecarboxamide

2013 ◽  
Vol 2013 ◽  
pp. 1-5 ◽  
Author(s):  
Mohamed I. Attia ◽  
Hazem A. Ghabbour ◽  
Aida A. El-Azzouny ◽  
Omar A. Al-Deeb ◽  
Maha S. Almutairi ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Single Crystal ◽  
Title Compound ◽  
Spectroscopic Characterization ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Imine Bond

Synthesis, spectroscopic characterization and X-ray crystal structure of a new (2E)-2-[3-(1H-imidazol-1-yl)-1-phenylpropylidene]-N-phenylhydrazinecarboxamide (4) are reported. The stereochemistry of the title compound4, C19H19N5O, about the imine bond [1.296 (4) Å] was assigned to have (E)-configuration. In the urea moiety, the N–H entities aretransto each other, and one of these forms is an intramolecular N–H⋯H hydrogen bond. The compound crystallizes in the monoclinic space groupP21/cwitha= 5.8093 (2) Å,b= 20.5575 (6) Å,c= 14.0355 (5) Å,α= 90.00°,β= 97.365° (2),γ= 90.00°,V= 1662.36 (10) Å3, andZ= 4. The molecules are packed in crystal structure by weak intermolecular hydrogen interactions.

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