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.

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 Synthesis and Crystal Structure ofN-Dichloroacetyl-3,4-dihydro-3-methyl-6-chloro-2H-1,4-benzoxazine

2015 ◽  
Vol 2015 ◽  
pp. 1-5
Author(s):  
Shuang Gao ◽  
Hai-Tao Qu ◽  
Fei Ye ◽  
Ying Fu
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Compound C

A new compound,N-dichloroacetyl-3,4-dihydro-3-methyl-6-chloro-2H-1,4-benzoxazine, was synthesized and characterized. The crystal structure of the title compound (C11H10Cl3NO2,Mr=294.55) has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space groupP21/c, witha=6.7619(14),b=24.866(5),c=9.737(3) Å,α=90.00,β=130.982(18),γ=90.00°,V=1235.9(5) Å3,Z=4,Dx=1.583 Mg/cm3,λ(Mo  Ka)=0.71073 Å,F(000)=600,μ=0.729 mm−1,R=0.0476, andwR=0.1274for 2217 reflections withI>2σ(I).

Preparation and Crystal Structure Determination of [(C2Η5)4N]2Hg3Cl8

1995 ◽  
Vol 50 (1) ◽  
pp. 66-70 ◽  
Author(s):  
Inge Pabst ◽  
Peter Sondergeld ◽  
Mirjam Czjzek ◽  
Hartmut Fuess
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Analysis ◽  
Structure Determination ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Coordination Type ◽  
X Ray

The title compound has been prepared in two different ways: First, by boiling single crystals of [(C2H5)4N]HgCl3 in a mixture of n-hexane/n-octane [4:1] at T = 350 K, and second, in a synthesis from stoichiometric quantities of the components. X-ray structure analysis gave the stoichiometry [(C2H5)4N]2Hg3Cl8, monoclinic, space group P21, a = 7.538(3), b = 19.909(6), c = 10.274(3) Å, β = 95.13(1)°, V = 1535.7(9) A3, Z = 2. The basic [Hg3Cl8]2--units form broken zig-zag chains along [100]. The Hg–Cl distances within the [Hg3Cl8]2- clusters range from 2.315(3) to 2.755(4) Å. This is a new coordination type for halomercurates.

Crystal structure of 9-Oxofluorene-4-carboxylic acid

1981 ◽  
Vol 34 (5) ◽  
pp. 1143 ◽  
Author(s):  
CHL Kennard ◽  
G Smith ◽  
GF Katekar
Keyword(s):  
Crystal Structure ◽  
Carboxylic Acid ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
A Cell

The crystal structure of 9-oxofluorene-4-carboxylic acid has been determined by direct methods using three-dimensional X-ray diffraction data, and refined to R0·068 for 1323 'observed' reflections. Crystals are monoclinic, space group P21/c with 24 in a cell of dimensions a 3·843(3), b 7·986(5), c 3269(2) �, β 96·64(4)�. The molecules form centrosymmetric hydrogen-bonded cyclic dimers [O···O 2·642(3) �] with the plane of the carboxylic acid making an angle of 26·5� with that of the 9-oxofluorene group. Stacks of molecules form down the a axis with 3.843 �. separation.

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.

1,1,3,5,5,7,9,9,11-Nonachlor-1,5,9-triphospha-2,4,6,8,10,12-hexaazacyclododecahexaen: [Cl2PN2CCl]3, Synthese, Spektren und Kristallstruktur/ 1,1,3,5,5,7,9,9,11-Nonachloro-1,5,9-triphospha-2,4,6,8,10,12-hexaazacyclododecahexaene: [Cl2PN2CCl]3, Preparation, Spectra and Crystal Structure

1986 ◽  
Vol 41 (7) ◽  
pp. 839-844 ◽  
Author(s):  
H .-D. Hausen ◽  
G. Rajca ◽  
J. Weidlein
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Structure Determination ◽  
Title Compound ◽  
Benzene Solution ◽  
Molar Ratio ◽  
Monoclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Low Symmetry

AbstractThe title compound, Cl2PN2CCl, has been synthesized by the reaction of PCl5 with Me3Si -N = C = N - SiMe3 (Me - CH3) in a 1:1 molar ratio. The colourless com pound is trimericin benzene solution and in the solid state and has a structure with a highly puckered 12-membered P3N6C3-ring skeleton of low symmetry. The X-ray structure determination shows a monoclinic space group P 21/a with 4 trimeric units per cell.

scholarly journals Synthesis and Crystal Structure of 2-(Dichloromethyl)-2-(4-nitrophenyl)-1,3-dioxane

2013 ◽  
Vol 2013 ◽  
pp. 1-4
Author(s):  
Fei Ye ◽  
Chang-Ying Sun ◽  
Ying Fu
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Compound C

A new compound, 2-dichloromethyl-2-p-nitrophenyl-1,3-dioxane, was synthesized and characterized. The crystal structure of the title compound (C11H11Cl2NO4,Mr=292.11) has been determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space groupP21/cwitha=11.013(2) Å,b=14.653(3) Å,c=7.8693(16) Å,α=90°,β=97.06(3)°,γ=90°,V=1260.3(4) Å3,Z=4,F(000)=600,Dc=1.540 mg/cm3, the finalR1=0.0508, andωR2=0.1072for observed reflections withI>2σI. A total of 12162 reflections were collected, of which 2867 were unique (Rint=0.06999).

An Alternative Crystal Structure of Yb26B12O57 – X-Ray Structure Determination on Flux-synthesized Single Crystals

2014 ◽  
Vol 69 (3) ◽  
pp. 294-298 ◽  
Author(s):  
Olaf Reckeweg ◽  
Armin Schulz ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Raman Spectra ◽  
Structure Determination ◽  
Title Compound ◽  
Lattice Parameters ◽  
Monoclinic Space Group ◽  
Subsequent Removal ◽  
Space Group ◽  
X Ray

Transparent and colorless single crystals of Yb26B12O57 were obtained by reacting Yb2O3 and B powder at 1000 °C in the presence of a KCl flux for 24 h in silica-jacketed Nb ampoules and subsequent removal of the flux by washing with water. Yb26B12O57 crystallizes in the monoclinic space group C2/m (no. 12, Z = 1) with the lattice parameters a = 2454:1(3), b = 357:78(4), c = 1426:7(2) pm and β = 115:111(6)°, and its structure differs slightly from that of a known compound with the same stoichiometry. Raman spectra of single crystals of the title compound were recorded and compared to those of known borate compounds

Crystal structure of the acetic acid solvate of the molybdenum(II) acetate/sodium acetate double salt

1980 ◽  
Vol 33 (8) ◽  
pp. 1847 ◽  
Author(s):  
DL Kepert ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Acetic Acid ◽  
Single Crystal ◽  
Least Squares ◽  
Title Compound ◽  
Sodium Acetate ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The crystal structure of the title compound, Mo2(O2CCH3)4,Na+ - O2CCH3,HO2CCH3, has been determined by single crystal X-ray diffraction at 295(1) K and refined by least squares to a residual of 0.040 for 1529 'observed' reflections. Crystals are monoclinic, space group I2/c, a 8.251(5), b 18.468(9), c 13.674(6) Ǻ, β 100.25(4)°, Z 4. The compound is shown to have the above stoichiometry, containing the usual binuclear molybdenum(II) acetate cluster together with pairs of hydrogen-bonded acetic acid/acetate units.

Crystal structure of calcium cobalt orthophosphate, CaCo[Ca0.1Co0.9](PO4)2

2006 ◽  
Vol 21 (3) ◽  
pp. 220-224
Author(s):  
Koichiro Fukuda ◽  
Hajime Hasegawa ◽  
Tomoyuki Iwata ◽  
Shinobu Hashimoto
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Direct Methods ◽  
Monoclinic Space Group ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Reliability Indices

Crystal structure of Ca1.1Co1.9(PO4)2 was successfully determined from laboratory X-ray powder diffraction data (Co Kα) using direct methods and the Rietveld refinement. The crystal structure was found to be monoclinic (space group P21∕n, Z=4) with lattice dimensions of a=1.452 67(5) nm, b=0.494 34(1) nm, c=0.867 50(3) nm, β=92.316(1)°, and V=0.622 45(3) nm3. The final reliability indices calculated from the Rietveld refinement were Rwp=3.93%, Rp=3.02%, RB=4.10%, and S=1.48. Both Co and Ca atoms were distributed over the 2a and 2d sites with a preference of Ca at the 2d site. The coexistence of Co and Ca on the 2a and 2d sites is indispensable for stabilizing Ca1.1Co1.9(PO4)2 in the Ca3(PO4)2-Co3(PO4)2 system.

Sign in / Sign up

Export Citation Format

Share Document