Bisophenol Flukicides. II. The Crystal Structure of 2,2'-(2,2,2-Trichloroethylidene)bis(4-chloro-6-nitrophenol)

1980 ◽  
Vol 33 (1) ◽  
pp. 77 ◽  
Author(s):  
D Hay ◽  
P Demunk ◽  
M Mackay
Keyword(s):  
Crystal Structure ◽  
Carbon Atom ◽  
Title Compound ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
Aromatic Carbon ◽  
Space Group ◽  
Cell Dimensions ◽  
Phenyl Rings

Crystals of the title compound, C14H7Cl5N2O6, belong to the monoclinic space group P21/c with cell dimensions a 13.021(2), b 10.508(2), c 13.360(2)Ǻ, β 106.00(1)° and Z 4. The structure was solved by direct methods from diffractometer data measured with Cu Kα radiation, and refined to a conventional R index of 0.046 for 2465 non-equivalent terms. The phenyl rings are mutually inclined at 73.9ˌ, and the equivalent substituents of each ring lie on the same side of the plane formed by the bridging carbon atom and its two bonded aromatic carbon atoms.

Structure of 3α,4α:5β,6β-Diepoxyandrostan-17-one

1983 ◽  
Vol 36 (11) ◽  
pp. 2333 ◽  
Author(s):  
B Kamenar ◽  
RA Pauptit ◽  
JM Waters
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray

The X-ray crystal structure of 3α,4α:5β,6β-diepoxyandrostan-17-one has been determined. Crystals of the title compound (C19H26O3)are monoclinic, space group P21, with a 9.208(2), b 9.620(4), c 9.312(3) �, β 99.14(2)�, V 814.5 Ǻ3 and Z 2. The structure was solved by direct methods and refined to R 0.039 for 887 observed reflexions. The 3α,4α:5β,6β configuration of the epoxide rings confirms the assignment based on proton n.m.r. studies.

Kristallstruktur von Bis(N.N′-bis(8-chinoyl)äthylendiaminato)nickel(II) / Crystal Structure of Bis(N,N′-bis(8-chinoyl)ethylenediaminato)nickel(II)

1977 ◽  
Vol 32 (2) ◽  
pp. 131-133 ◽  
Author(s):  
H. Endres ◽  
H. J. Keller ◽  
A. Poveda
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Least Squares ◽  
Title Compound ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Cell Dimensions ◽  
Planar Molecules ◽  
Unit Cell Dimensions

The title compound NiC20H16N4 crystallizes in the monoclinic space group Ρ21/a with unit cell dimensions a = 12.07(2) Å, b= 10.712(4) Å, c = 13.50(3) Å, β= 113.1(1)°. The structure was refined by a blockmatrix least squares procedure to R = 0.126, based on 1258 observed intensities. The planar molecules form centro-symmetric dimers in the solid state with interplane distances of 3.3 A.

Crystal structure of N,N '-Ethylenebis(1,1,1-Trifluoro-4-iminopentan-2-one)

1984 ◽  
Vol 37 (4) ◽  
pp. 879 ◽  
Author(s):  
R Cea-Olivares ◽  
I Rodriguez ◽  
MJ Rosales ◽  
A Toscano
Keyword(s):  
Crystal Structure ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
Enamino Ketone ◽  
Space Group ◽  
R Value ◽  
Intramolecular Hydrogen

The crystal structure of N,N'-ethylenebis(1,1,1-trifluoro-4-iminopentan-2-one) (tfaen) was determined: C12H14F6N2O2, M 342.04, monoclinic, space group P21/n, a 6.939(2), b 20.529(5), c 10.662(2) �, V 1507.84 �3 β 96.87(2)�, p(calc.) 1.506 g cm-3 (Z = 4), F(000)680, �(Cu Kα) 13.15 cm-1. The structure was solved by direct methods and refined to a final R value of 0.073 for 1198 unique reflections. Discrete molecules in the crystal are characterized by a conjugated enamino ketone structure with intramolecular hydrogen bridges.

scholarly journals The reaction of 3,5-diphenyl-1,2-dithiolium-4-olate with aniline: the crystal structure of 1-phenylimino-2-phenylamino-3-phenylindene

1987 ◽  
Vol 65 (12) ◽  
pp. 2830-2833 ◽  
Author(s):  
David M. McKinnon ◽  
Peter D. Clark ◽  
Robert O. Martin ◽  
Louis T. J. Delbaere ◽  
J. Wilson Quail
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

3,5-Diphenyl-1,2-dithiolium-4-olate (1) reacts with aniline to form 1-phenylimino-2-phenylamino-3-phenylindene (3a). Under suitable conditions, 6-phenylbenzo[b]indeno[1,2-e]-1,2-thiazine is also formed. These structures are confirmed by alternative syntheses. The molecular structure of 3a has been determined by single crystal X-ray diffraction. Compound 3a crystallizes in the monoclinic space group C2/c with unit cell dimensions a = 20.777(3) Å, b = 6.130(3) Å, c = 31.327(3) Å, 3 = 99.59(1)°, and Z = 8. The structure was solved by direct methods and refined by least squares to a final R = 0.055. The molecular structure of 3a shows the three phenyl containing substituents to have the planes of their ring systems tilted between 40° and 60° from the plane of the indene system due to steric repulsions.

Structure of 2,3,4,5-Tetra-O-acetyl-6-amino-6-deoxy-D-allonolactam

1992 ◽  
Vol 57 (11) ◽  
pp. 2367-2373 ◽  
Author(s):  
Jan Ondráček ◽  
Jaroslav Havlíček ◽  
Karel Kefurt ◽  
Jiří Jarý ◽  
Jiří Novotný ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Title Compound ◽  
Intermolecular Hydrogen Bond ◽  
Direct Methods ◽  
Lattice Parameters ◽  
Helical Chain ◽  
Space Group ◽  
Bond Forming

The crystal structure of 2,3,4,5-tetra-O-acetyl-6-amino-6-deoxy-D-allonolactam was solved by direct methods and refined anisotropically to R = 0.085 for 1345 unique observed reflections. The title compound crystallizes in A2 space group with the lattice parameters a = 11.756(4), b = 8.139(3), c = 23.713(11) Å, β = 116.71(4)°, V = 2027(2) Å3, Z = 4. The ring of 2,3,4,5-tetra-O-acetyl-6-amino-6-deoxy-D-allonolactam adopts the 4C1,N(D) conformation with the planar arrangement of the C(6)-NH-C(1)O-C(2) atoms. In the crystal structure the adjacent molecules of this lactam are bonded by one intermolecular hydrogen bond, forming a helical chain.

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.

Synthesis and photophysical properties of 2,5,8,11-tetrakis(5-hexylthiophen-2-yl)tetrathieno[2,3-a:3′,2′-c:2′′,3′′-f:3′′′,2′′′-h]naphthalene

2013 ◽  
Vol 69 (6) ◽  
pp. 634-637 ◽  
Author(s):  
Libin Gao
Keyword(s):  
Crystal Structure ◽  
Title Compound ◽  
Photophysical Properties ◽  
Planar Geometry ◽  
Monoclinic Space Group ◽  
Slow Evaporation ◽  
Space Group ◽  
Compound C ◽  
Alkyl Side Chains ◽  
The Mean

The title compound, C58H64S8, has been prepared by Pd-catalysed direct C—H arylation of tetrathienonaphthalene (TTN) with 5-hexyl-2-iodothiophene and recrystallized by slow evaporation from dichloromethane. The crystal structure shows a completely planar geometry of the TTN core, crystallizing in the monoclinic space groupP21/c. The structure consists of slipped π-stacks and the interfacial distance between the mean planes of the TTN cores is 3.456 (5) Å, which is slightly larger than that of the comparable derivative of tetrathienoanthracene (TTA) with 2-hexylthiophene groups. The packing in the two structures is greatly influenced by both the aromatic core of the structure and the alkyl side chains.

The Crystal and Molecular Structure of Butorphanol Hydrogen Tartrate

1994 ◽  
Vol 59 (6) ◽  
pp. 1361-1367 ◽  
Author(s):  
Alexandr Jegorov ◽  
Roman Sobotík ◽  
Svetlana Pakhomova ◽  
Jan Ondráček ◽  
Jiří Novotný ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Chair Conformation ◽  
Triclinic Space Group ◽  
Space Group

The structure of butorphanol hydrogen tartrate {(9R,13S,14S)-(-)-17-(cyclobutylmethyl)morphinan-3,14-diol (2S,3S)-(-)-hydrogen tartrate} (C21H29NO2 .C4H6O6) was solved by direct methods and refined anisotropically to the R value of 0.029 for 2 069 observed reflections. The title morphine analogue crystallizes in the triclinic space group P1 with lattice parameters a = 7.620(1), b = 9.140(1), c = 9.591(1) Å, α = 105.48(1), β = 112.91(1), γ = 84.29(1)°, Z = 1. The butorphanol B ring possesses the 3E envelope conformation with small 3H2 distortion, C and D rings have a regular chair conformation. The intramolecular N17-H17...O2 hydrogen bond is observed in crystal structure of the title compound. The butorphanol and hydrogen tartrate molecules are joined together by means of O2-H(O2)...O7, O1-H(O1)...O7' and O3-H(O3)...O8" hydrogen bonds to form networks.

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.

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.

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