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

Lewis-Base Adducts of Lead(II) Compounds. XXI. Revisitations: Synthesis and Structure of the Hydrated 1 : 2 Adduct of Lead(II) Bis(perchlorate) and 2,4,6-Tris(2-pyridyl)-1,3,5-triazine and a Low-Temperature Redetermination of the Structure of Bis(2-aminLewis-Base Adducts of Lead(II) Compounds

2002 ◽  
Vol 55 (10) ◽  
pp. 661 ◽  
Author(s):  
J. M. Harrowfield ◽  
H. Miyamae ◽  
B. W. Skelton ◽  
A. A. Soudi ◽  
A. H. White
Keyword(s):  
Low Temperature ◽  
Structure Determination ◽  
Aqueous Ethanol ◽  
Lewis Base ◽  
Asymmetric Unit ◽  
Nitrate Complex ◽  
X Ray ◽  
Perchlorate Ion ◽  
Crystallographic Symmetry ◽  
Independent Molecules

Lead(II) perchlorate crystallizes from aqueous ethanol with 2,4,6-tris(2-pyridyl)-1,3,5-triazine (trz) as a 1 : 2 trihydrate adduct, [(trz)2Pb(OH2)(O2ClO2)](ClO4)�2H2O, as has been confirmed by a low temperature (ca .153 K) single crystal X-ray structure determination. The lead(II) environment is derivative of that of the previously recorded hydrated (rather than the methanol solvated) nitrate complex, comprising a pair of tridentate trz ligands, and, in place of the pair of bidentate nitrates, a unidentate water and an unsymmetrically bidentate perchlorate ion. A redetermination of the structure of bis(2-aminomethylpyridine)lead(II) bis(perchlorate) has resulted in a non-disordered model, still based upon the [Pb(amp)2(OClO3)2] entity, where amp = 2-aminomethylpyridine, but with eight independent molecules, devoid of any crystallographic symmetry, comprising the asymmetric unit of the structure, which is described in a larger unit cell of lower symmetry.

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.

Kristall- und Molekülstruktur von 2-[3-(N,N-Diethylammonium)propylimino]-2-phenyl-dithioacetat / Crystal and Molecular Structure of 2-[3-(N,N-Diethylammonium)propylimino]-2-phenyl-dithioacetate

1995 ◽  
Vol 50 (1) ◽  
pp. 81-85 ◽  
Author(s):  
Frank W. Heinemann ◽  
Helmut Hartung ◽  
Nadja Maier
Keyword(s):  
Molecular Structure ◽  
Hydrogen Atom ◽  
Structure Determination ◽  
Crystal And Molecular Structure ◽  
Amino Nitrogen ◽  
Orthorhombic Space Group ◽  
Imino Nitrogen ◽  
X Ray ◽  
Lattice Constants

The title compound, formed by the reaction of acetophenone with 3-diethylamino-1-propylamine and sulfur, crystallizes in the orthorhombic space group P212121 (Z = 4) with lattice constants a = 818.1(2) pm, b = 1225.1(2) pm and c = 1622.4(4) pm. The characterization of the molecule as a zwitterion is established by the observed bond parameters. Both spectroscopic investigations and the results of the X-ray structure determination show that a hydrogen atom is bonded to the amino nitrogen rather than to the imino nitrogen.

Redetermination of the Crystal and Molecular Structure of Cyclohexasulfur, S6 [1]

1978 ◽  
Vol 33 (12) ◽  
pp. 1554-1555 ◽  
Author(s):  
Jürgen Steidel ◽  
Joachim Pickardt ◽  
Ralf Steudel
Keyword(s):  
Molecular Structure ◽  
Structural Analysis ◽  
Low Temperature ◽  
Single Crystals ◽  
Crystal And Molecular Structure ◽  
Torsion Angles ◽  
X Ray ◽  
Bond Angles

A low temperature (-90 °C) X-ray structural analysis of S6 single crystals yielded improved data for the bond distances (206.8 pm), bond angles (102.6°), and torsion angles (73.8°) of the D3d molecule which are in agreement with current theories of homonuclear sulfur bonds.

scholarly journals Metallorganische Verbindungen der Lanthanoide, 41 [1]. Die Kristall-und Molekülstruktur von (C5Me5)2HoCl(THF) / Organometallic Compounds of the Lanthanides, 41 [1]. The Crystal and Molecular Structure of (C5Me5)2HoCl(THF)

1988 ◽  
Vol 43 (3) ◽  
pp. 323-327 ◽  
Author(s):  
H. Schumann ◽  
J. Loebel ◽  
D. van der Helm ◽  
M. B. Hossain
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Organometallic Compounds ◽  
Asymmetric Unit ◽  
Space Group ◽  
X Ray ◽  
Independent Molecules

The title compound (1) is obtained as brownish crystals by reaction of HOCl3 with NaC5Me5 in tetrahydrofuran. The structure of 1, which has two slightly different independent molecules per asymmetric unit, has been elucidated by X-ray analysis. The crystals are triclinic with a = 1686.2(8) pm, b = 1816(1) pm, c = 846.5(4) pm, α = 92.02(7)°, β = 92.47(9)°, γ = 63.21(5)°, space group P1̄, D(calcd) = 1.560 g/cm3, and R = 0.0286, for 6219 observed reflections with I > 3σ(I).

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