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.

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.

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.

Die Synthese und Kristallstruktur des Borat-Phosphats: α -Zn3(BO3)(PO4) / Synthesis and Crystal Structure of the Borate-Phosphate: α-Zn3(BO3)( PO4)

1997 ◽  
Vol 52 (1) ◽  
pp. 102-106 ◽  
Author(s):  
K. Bluhm ◽  
C. H. Park
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray

Single crystals of the compound α -Zn3(BO3)(PO4) were obtained at 1050 °C by using B2O3, P2O5 and ZnCO3 as starting materials and subsequent cooling to 600°C with 20°C/h. X-ray investigations on single crystals yield a new crystal structure in the monoclinic space group Cm - (Nr. 8) with a = 972.5(2); b = 1272.0(3); c = 487.4(3) pm; β = 119.80 (4)°; Z = 4. The structure contains isolated trigonally planar BO3 and tetrahedral PO4 units which are not joined together. Zinc occupies three crystallographically different point positions and is trigonal-bipyramidally, tetragonal-pyramidally or distorted tetrahedrally coordinated by oxygen

scholarly journals Synthesis and crystal structure of a new alluaudite-like iron phosphate Na2CaMnFe(PO4)3

2016 ◽  
Vol 72 (12) ◽  
pp. 1806-1808 ◽  
Author(s):  
Semeh Jebli ◽  
Abdessalem Badri ◽  
Mongi Ben Amara
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
General Formula ◽  
Iron Phosphate ◽  
Structural Type ◽  
Statistical Distribution ◽  
Monoclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
Iron And Manganese

A new iron phosphate, disodium calcium manganese(II) iron(III) tris(phosphate), Na2CaMnFe(PO4)3, has been synthesized as single crystals by the flux technique. This compound crystallizes in the monoclinic space groupC2/c. The structure belongs to the alluaudite structural type and thus, it obeys theX(2)X(1)M(1)M(2)2(PO4)3general formula. Both theX(2) andX(1) sites are fully occupied by sodium, whileM(1) is occupied by calcium andM(2) exhibits a statistical distribution of iron and manganese.

Hochdrucksynthese und Kristallstruktur von Kalium- und Rubidiumdiwolframat(VI), K2W2O7 und Rb2W2O7 / High-Pressure Synthesis and Crystal Structure of Potassium and Rubidium Ditungstate(VI), K2W2O7 und Rb2W2O7

1990 ◽  
Vol 45 (2) ◽  
pp. 107-110 ◽  
Author(s):  
Klaus-Jürgen Range ◽  
Wilhelm Hegenbart ◽  
Anton M. Heyns ◽  
Franz Rau ◽  
Ulrich Klement
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Single Crystals ◽  
High Pressures ◽  
Monoclinic Space Group ◽  
Potassium Ions ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
High Pressure Synthesis ◽  
Pressure Synthesis

Potassium tungstate, K2WO4, decomposes at high pressures to give K2W2O7 and other products. Single crystals of K2W2O7 could be synthesized from a mixture of K2WO4 + WO3 at 40kbar, 1000 °C. The crystals are monoclinic, space group P21/c, with a = 3.883(1) A, b = 13.653(4) Å, c = 5.960(1) Å, β = 90.40(3)°, and Ζ = 2.The structure is comprise of distorted WO6-octahedra (W–O = 1.75-2.13 A) which are connected by corner- and edgesharing, thus forming layers with a sequence ABAB ... along [010]. The potassium ions are situated between the layers with K–O distances of 2.66-3.04 A.Rb2W2O7, synthesized from a Rb2WO4/WO3-mixture at 40 kbar, 1000 °C, is isostructural with K2W2O7 (a = 3.9645(4) Å, b = 14.119(1) Å, c = 6.0415(5) Å,β = 90.446(9)°.

scholarly journals The crystal structure of alstonite, BaCa(CO3)2: an extraordinary example of ‘hidden’ complex twinning in large single crystals

2020 ◽  
Vol 84 (5) ◽  
pp. 699-704
Author(s):  
Luca Bindi ◽  
Andrew C. Roberts ◽  
Cristian Biagioni
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Determination ◽  
Unit Cell ◽  
Crystal Structure Determination ◽  
Unit Cell Parameters ◽  
Space Group ◽  
Cell Parameters ◽  
Structure Determinations

AbstractAlstonite, BaCa(CO3)2, is a mineral described almost two centuries ago. It is widespread in Nature and forms magnificent cm-sized crystals. Notwithstanding, its crystal structure was still unknown. Here, we report the crystal-structure determination of the mineral and discuss it in relationship to other polymorphs of BaCa(CO3)2. Alstonite is trigonal, space group P31m, with unit-cell parameters a = 17.4360(6), c = 6.1295(2) Å, V = 1613.80(9) Å3 and Z = 12. The crystal structure was solved and refined to R1 = 0.0727 on the basis of 4515 reflections with Fo > 4σ(Fo) and 195 refined parameters. Alstonite is formed by the alternation, along c, of Ba-dominant and Ca-dominant layers, separated by CO3 groups parallel to {0001}. The main take-home message is to show that not all structure determinations of minerals/compounds can be solved routinely. Some crystals, even large ones displaying excellent diffraction quality, can be twinned in complex ways, thus making their study a crystallographic challenge.

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.

Benzo-18-krone-6 -Acetonitril (1/2): Kristallisation und Tieftemperatur- Röntgenstrukturanalyse / Benzo-18 -crown-6 -Acetonitrile (1/2): Crystallization and Low-Temperature X-Ray Analysis

1998 ◽  
Vol 53 (12) ◽  
pp. 1528-1530 ◽  
Author(s):  
Karna Wijaya ◽  
Oliver Moers ◽  
Armand Blaschette ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Data Collection ◽  
Single Crystals ◽  
Title Complex ◽  
Monoclinic Space Group ◽  
Hydrogen Atoms ◽  
Space Group ◽  
X Ray ◽  
Mecn Solution

Abstract Benzo-18 -crown-6 -Acetonitrile (1/2), Crystal Structure Single crystals of the title complex resulted fortuitously during an attempt to co-crystallise MeN(SO2Me)2 with benzo-18-crown-6 from an MeCN solution at -30 °C. The crystal structure has been determined via data collection at -100 °C (monoclinic, space group P21/n, Z = 4). The nitrile molecules are located with their me­ thyl groups above and below the plane of the 18-membered crown ring, the Me hydrogen atoms being rotationally disordered about the MeCN axes; C(methyl)···O(crown) distances range from 309.4(3) to 384.9(3) pm.

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