The Crystal and Molecular structure of trans-Dichlorobis(1,3-Diaminopropan-2-ol)cobalt(III) Chloride

1987 ◽  
Vol 40 (10) ◽  
pp. 1763
Author(s):  
R Kivekas ◽  
MR Sundberg
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Coordination Sphere ◽  
Structure Determination ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Chloride Ions ◽  
X Ray ◽  
R Value

A single-crystal X-ray structure determination of the title compound is reported. The compound crystallizes in the space group P1 with a 7.273(1), b 8.525(2), c 12.358(3) �, α 80.03(3),β 75.38(2), γ 65.06(2)� and Z 2. The final R value for 3318 reflections was 0.041. The structure consists of two independent trans- dichlorobis (l,3-diaminopropan-2-ol)cobalt(III) cations and chloride ions interconnected by a hydrogen bonding network. The axial Co-Cl bonds in the pseudo-octahedral coordination sphere are shorter than those in the coordination sphere of the copper(II) analogue. The compression is clearly related to the simultaneous flattening of the rings.

4,4′-Bithiazoles as Ligands: Crystal and Molecular Structure of bis(O,O′-Nitrato)(2,2′-diphenyl-4,4′-bithiazole)copper(II) (Two Polymorphs)

2003 ◽  
Vol 56 (9) ◽  
pp. 949 ◽  
Author(s):  
S. Ali Asghar Torabi ◽  
Fahimeh Jamali ◽  
George A. Koutsantonis ◽  
Ali Morsali ◽  
Brian W. Skelton ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Low Temperature ◽  
Molecular Complex ◽  
Structure Determination ◽  
Crystal And Molecular Structure ◽  
Plane Angle ◽  
Asymmetric Unit ◽  
X Ray ◽  
Crystallographic Symmetry

A low-temperature single-crystal X-ray structure determination of the 1 : 1 adduct of copper(II) nitrate with 2,2′-diphenyl-4,4′-bithiazole (L) shows it to be a molecular complex with L behaving as a symmetrical N,N′ chelate, and the nitrate groups as unsymmetrical O,O′ chelates: [LCu(O2NO)2]. Two polymorphs, both monoclinic P21/c, have been obtained from acetonitrile (‘α’) and methanol (‘β’), respectively, with one molecule, devoid of crystallographic symmetry, in the asymmetric unit of each structure. The copper environments are distorted planar four-coordinate, cis-N2CuO2 (Cu–N 2.011(1), 1.973(1), Cu–O 1.995(1), 1.962(1) Å), ‘in-plane’ angle sum Σ 369.5°, with longer trans, axial contacts (Cu–O 2.455(1), 2.458(2) Å) for the α-form; respective values are 1.995(5), 1.991(4), 1.997(4), 1.973(3) Å, 360.4°, 2.500(4), and 2.396(4) Å for the β-form.

Crystal and Molecular Structure of 4-Arylhexahydro-1H,3H-pyrido[1,2-c]pyrimidine-1,3-dione Derivatives

2002 ◽  
Vol 57 (11) ◽  
pp. 1315-1319 ◽  
Author(s):  
Irena Wolska ◽  
Franciszek Herold
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Structure Determination ◽  
Phenyl Ring ◽  
Crystal And Molecular Structure ◽  
X Ray ◽  
Saturated Ring ◽  
Centrosymmetric Dimers

The X-ray crystal structure determination of 4-(2-methylphenyl)hexahydro-1H,3H-pyrido[ 1,2-c]pyrimidine-1,3-dione (2) and 4-(3-methylphenyl)hexahydro-1H,3H-pyrido[1,2-c]- pyrimidine-1,3-dione (3) is reported. The crystal structures show the formation of centrosymmetric dimers via intermolecular N-H···O hydrogen bonds. The saturated ring adopts a slightly distorted halfchair conformation in both 2 and 3. In either compound the planar phenyl ring is twisted with respect to the pyrimidine-1,3-dione fragment.

scholarly journals An X-Ray Crystal and Molecular Structure Determination of a Benzo[1,2-b:4,5-b']bisbenzofuran Derivative Formed by Base-induced Condensation of 3(2H)-benzofuranone.

1979 ◽  
Vol 33b ◽  
pp. 405-409 ◽  
Author(s):  
Jan Bergman ◽  
Börje Egestad ◽  
Dayananda Rajapaksa ◽  
Christian Pedersen ◽  
Curt R. Enzell ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Structure Determination ◽  
Crystal And Molecular Structure ◽  
X Ray

Synthesis and Structure of (1,8-Diammonio-3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane)-nickel(II) Tetrachloride Monohydrate

1993 ◽  
Vol 46 (1) ◽  
pp. 127 ◽  
Author(s):  
LM Engelhardt ◽  
JM Harrowfield ◽  
AM Sargeson ◽  
AH White
Keyword(s):  
Hydrogen Bonding ◽  
Single Crystal ◽  
Structure Determination ◽  
Title Compound ◽  
Narrow Range ◽  
Crystal Packing ◽  
The Other ◽  
X Ray ◽  
The Mean

The synthesis and single-crystal X-ray structure determination of the title compound are described. Crystals are monoclinic, P 21, a 16.164(9), b 8.277(3), c 8.829(4) Ǻ, β 102.86(4)°, Z 2; 2666 independent 'observed' diffractometer data [I > 3σ(I)] were refined to a residual of 0.045. The cation is unusual amongst complexes of sarcophagine (3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane) cage amines in adopting a lel2ob conformation, seemingly in response to hydrogen bonding/crystal packing forces. In consequence, unlike the tetranitrate analogue in which Ni-N bond distances are dispersed over a narrow range (2.097(5)-2.119(5) Ǻ; mean 2.109 Ǻ], the coordination sphere is more distorted with one pair of Ni-N distances, cis to each other, being short at 2.081(5) and 2.086(5) Ǻ, while the other four are long, ranging from 2.116(5) to 2.135(5) Ǻ, the mean of this array being 2.111 Ǻ.

A Base-stabilized Iodoborylene Complex of Platinum(II)

2013 ◽  
Vol 68 (5-6) ◽  
pp. 747-749 ◽  
Author(s):  
Holger Braunschweig ◽  
Peter B. Brenner ◽  
Rian D. Dewhurst ◽  
Krzysztof Radacki
Keyword(s):  
Molecular Structure ◽  
Structure Determination ◽  
Title Compound ◽  
Platinum Complex ◽  
Phosphine Ligand ◽  
X Ray ◽  
Bond Lengths ◽  
Trans Influence ◽  
Neutral Base

The first base-stabilized iodoborylene platinum complex was prepared through the addition of 4-picoline (4-Pic) to a suspension of an iodo-bridged binuclear iodoboryl complex. An X-ray structure determination of the title compound has characterized the molecular structure as cis-[Pt{BI(4- Pic)}I2(PCy3)]. The bond lengths lie in the expected range for neutral, base-stabilized borylene complexes. The strong trans influence of the borylene moiety is reflected in the longer Pt-1 distance for the iodo ligand opposite the borylene, compared to that opposite the phosphine ligand

Crystal and molecular structure of 5-carboxy-2-thiouracil monohydrate

2001 ◽  
Vol 216 (2) ◽  
Author(s):  
Edward R. T. Tiekink
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Structure Determination ◽  
Crystal And Molecular Structure ◽  
Layer Structure ◽  
Two Dimensional ◽  
Base Stacking

AbstractThe structure determination of 5-carboxy-2-thiouracil shows it to exist in the lactam-thione form. Extensive hydrogen bonding involving all possible donors and acceptors leads to the formation of interconnected 8- (x2), 10-, 16- and 20-membered rings and a two-dimensional layer structure; no evidence for base stacking was found.

Die Kristall- und Molekülstruktur von Lithiumtrifluormethansulfonat Li[SO3CF3] · (THF) / The Crystal and Molecular Structure of Lithiumtrifluoromethanesulphonate Li[SO3CF3] · (THF)

1990 ◽  
Vol 45 (9) ◽  
pp. 1304-1308 ◽  
Author(s):  
H. Schumann ◽  
J. A. Meese-Marktscheffel ◽  
J. Loebel
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
R Value ◽  
Oxygen Atoms

The title compound 1 crystallizes in the monoclinic space group P21/c with a = 1023.4(1), b = 985.4(1), c = 1915.3(4) pm, β = 97.73(1)°, V = 1914.9·10-30 m3 and Z = 8. The X-ray structure was solved from 1977 observed reflections with I > 6σ(I) and refined to a final R value of 0.044. The structure shows Li tetracoordinated by one THF-oxygen and by three oxygen atoms each belonging to a different SO3CF3 group.

Determination of the structure of bis(propyldithiocarbamate)nickel(II)

1990 ◽  
Vol 55 (4) ◽  
pp. 1010-1014 ◽  
Author(s):  
Jiří Kameníček ◽  
Richard Pastorek ◽  
František Březina ◽  
Bohumil Kratochvíl ◽  
Zdeněk Trávníček
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Heavy Atom ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Planar Configuration ◽  
Compound C ◽  
Heavy Atom Method

The crystal and molecular structure of the title compound (C8H16N2NiS4) was solved by the heavy atom method and the structure was refined anisotropically to a final R factor of R = 0.029 (wR = 0.037) for 715 observed reflections. The crystal is monoclinic, space group P21/c with a = 948.3(2), b = 776.9(2), c = 1 167.4(2) pm, β = 125.14(2)°, Z = 2. The molecule contains two four-membered NiSCS rings of approximately planar configuration with the Ni atom situated at a centre of symmetry. The molecules are arranged in chains along the c-axis of the unit cell.

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