The crystal and molecular structure of 3-N-pyridylsydnone

1985 ◽  
Vol 50 (8) ◽  
pp. 1764-1773 ◽  
Author(s):  
Jindřich Hašek ◽  
Paul T. Beurskens ◽  
Jiří Obrda ◽  
Stanislav Nešpůrek ◽  
Hendrik Schenk ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Pyridyl Ring ◽  
Independent Molecule ◽  
Photochromic Properties ◽  
Monoclinic System ◽  
Calculated Density ◽  
Space Group ◽  
Independent Molecules

The title compound studied for its photochromic properties crystallizes in the monoclinic system, the space group P2/c, a = 734.3(6), b = 933.3(8), c = 2 334(2) pm, β = 117.71(5)°, V = 1.416(2) nm3, Z = 8, measured and calculated density Dm = 1.51, Dx = 1.53 Mg m-3, λ(CuKα) = 154.178 pm, μ = 1.0 mm-1, F(000) = 672, Mr= 163.14, T = 296 K. Final R = 0.084 for 1 511 significant (I > 1.96σI) reflections. The molecules are roughly parallel with the (100) plane and are stacked so that the sydnone ring of the first independent molecule partly overlaps the pyridyl ring of the second independent molecule. This results in the infinite column of partly overlaping pyridyl and sydnone rings in distances 344(4) and 335(4) pm, parallel with the a axis. Symmetrically independent molecules simulate pseudo 21 axis.

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).

Contributions to the Chemistry of Boron, LXXXII. The Crystal and Molecular Structure of B,B′ -bis(1,3-dimethyl-1,3,2-diazaborolidin-2-yl)

1976 ◽  
Vol 31 (11) ◽  
pp. 1441-1446 ◽  
Author(s):  
H. Fusstetter ◽  
J. C. Huffman ◽  
H. Nöth ◽  
R. Schaeffer
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Unit Cell ◽  
Full Matrix ◽  
Space Group ◽  
Independent Molecules

The title compound 2 crystallizes monoclinic, and the space group was determined to be C 2/c. The unit cell contains 16 molecules grouped in two sets of crystallographic independent molecules. The structure was solved by direct methods. Full matrix refinement led to R = 0.09. The molecules have C2 symmetry. The compound is composed of two five membered diazaborolidine rings joined by a boron-boron bond. The two nearly planar rings are twisted to one another by 61.6° and 56.8° respectively

Crystal and molecular structure of fenspiride, C15H20N2O2

2020 ◽  
Vol 35 (2) ◽  
pp. 144-146
Author(s):  
Silvina Pagola
Keyword(s):  
Molecular Structure ◽  
General Position ◽  
Crystal And Molecular Structure ◽  
Unit Cell ◽  
Unit Cell Parameters ◽  
Monoclinic System ◽  
Inflammatory Drug ◽  
Space Group ◽  
Cell Parameters ◽  
Independent Molecules

The crystal and molecular structure of fenspiride, a bronchodilator and anti-inflammatory drug, are reported. Fenspiride crystallizes in the monoclinic system, with two crystallographically independent molecules in the general position of the space group P21/n (No. 14) and Z = 8. Rietveld refined unit cell parameters are a = 11.52013(8) Å, b = 5.614091(31) Å, c = 44.1567(4) Å, α = 90°, β = 93.0885(6)°, γ = 90°, and V = 2851.69(4) Å3.

Crystal and molecular structure of di-o-anisylketone

1985 ◽  
Vol 63 (12) ◽  
pp. 3374-3377 ◽  
Author(s):  
C. Faerman ◽  
S. C. Nyburg ◽  
G. Punte ◽  
B. E. Rivero ◽  
A. A. Vitale ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Compound C ◽  
Twist Conformation ◽  
Oxygen Atoms

The crystal and molecular structure of the title compound, C15H14O3, is described. Crystals are monoclinic, space group P21/n, a = 9.893(5), b = 10.719(5), c = 12.136(3) Å, β = 90.56(3)°. The molecule has a twist conformation and interactions between oxygen atoms of the methoxyl groups are thought to play some part in this.

Notizen: Molekül- und Kristallstruktur des 2,4-Bis(diisopropylamino)-3-phenyl-1,3,2,4-thiazadiboretidins / Crystal and Molecular Structure of 2,4-Bis(diisopropylamino)-3-phenyl-1,3,2,4-thiazadiboretidine

1989 ◽  
Vol 44 (7) ◽  
pp. 853-856 ◽  
Author(s):  
Carl D. Habben ◽  
Mathias Noltemeyer
Keyword(s):  
Molecular Structure ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Structure Refinement ◽  
Space Group ◽  
X Ray ◽  
Compound C

The title compound, C18H33B2N3S, isolated from the reaction of 3,5-bis(diisopropylamino)-1,2,4,3,5-dithiazadiborolidine with elemental sodium, crystallizes in space group P1̅ with cell constants a = 1034.3(6), b = 1230.4(8), c = 1728.5(12) pm, α = 97.50(6), β = 97.95(5), γ = 90.17(5)° and Z = 4. X-ray structure refinement converged at R = 0.087, wR = 0.085, w-1 = σ2(F0) + 0.004 Fo2. The fourmcmbered ring B2NS is planar, the angle B—S—B being 70°.

The crystal and molecular structure of 1α,9β-Dichloro-2,2,10,10-tetramethoxy[2,2](2,6)pyridinophane

1978 ◽  
Vol 31 (9) ◽  
pp. 1953 ◽  
Author(s):  
D Taylor
Keyword(s):  
Molecular Structure ◽  
Least Squares ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Maximum Deviation ◽  
Asymmetric Unit ◽  
Space Group ◽  
Block Diagonal

Crystals of the title compound, C18H20Cl2N2O4, are monoclinic, a 14.706(1), b 17.168(1), c 7.269(1) Ǻ, β 92.72(1)°, space group P21/c with Z = 4. The structure was solved from diffractometer data by direct methods. Block-diagonal least-squares refinement converged at R 0.037, Rw 0.045 for 2103 reflections with I ≥ 3σ(I) which had been corrected for absorption (μ 34.0 cm-1). The asymmetric unit is comprised of two independent half-molecules, each molecule being centrosymmetric. The pyridine rings are distorted from planarity, with a maximum deviation of 0.10 Ǻ at the nitrogen atoms, as a consequence of the short intramolecular N...N contacts of 2.476(4) and 2.473(5) Ǻ.

Polysulfonylamine, CIII [1] Ein Hydroxylamin mit bemerkenswert kurzer O-N-B Bindung: Kristall- und Molekülstruktur von MeO-N(SO2Me)2 / Polysulfonylamines, C III [1] A Hydroxylamine with a Remarkably Short O-N Bond: Crystal and Molecular Structure of MeO-N(SO2Me)2

1998 ◽  
Vol 53 (5-6) ◽  
pp. 634-636 ◽  
Author(s):  
Martina Näveke ◽  
Armand Blaschette ◽  
Peter G. Jones
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Low Temperature ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray ◽  
Bond Angles

Abstract The crystal structure of the known title compound was determined by low-temperature X-ray diffraction (orthorhombic, space group Pbcn, Z = 4). The molecule displays an unusually short O-N bond, a relatively long C-O bond and a moderately pyramidal O-NS2 skeleton (O-N 133.1, C-O 148.5 pm, sum of bond angles at N: 347.4°).

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 2,2-Difluoro-3-(4-fluorophenyl)-2H-benzo[e][1,3,2]oxazaborinin-3-ium-2-uide

IUCrData ◽  
2017 ◽  
Vol 2 (8) ◽  
Author(s):  
Błażej Dziuk ◽  
Borys Ośmiałowski ◽  
Anna Zakrzewska ◽  
Krzysztof Ejsmont ◽  
Bartosz Zarychta
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Dihedral Angle ◽  
Title Compound ◽  
Independent Molecule ◽  
Asymmetric Unit ◽  
Space Group ◽  
Compound C ◽  
Centrosymmetric Space Group ◽  
Intermolecular Contacts

There is one independent molecule in the asymmetric unit of the title compound, C13H9BF3NO, which crystallizes in the non-centrosymmetric space groupCc. In the molecular structure, the BF2-carrying ring is distorted from planarity and its mean plane makes a dihedral angle of 42.3 (1)° with the 4-fluorophenyl ring. F atoms are involved in all of the short intermolecular contacts of the crystal structure, which link molecules to form chains along [001] and [010].

Crystal and molecular structure of the nickel(II) chelate of salicylidenethiosemicarbazone ammine - C8H7N3OSNi.NH3

1981 ◽  
Vol 46 (4) ◽  
pp. 975-981 ◽  
Author(s):  
Eduard Gyepes ◽  
František Pavelčík ◽  
Anton Beňo
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Specific Weight ◽  
Unit Cell ◽  
Lattice Parameters ◽  
Monoclinic System ◽  
Space Group ◽  
Symmetry Space ◽  
Symmetry Space Group

The nickel(II) chelate of salicylidenethiosemicarbazone ammine-C8H7N3OSNi.NH3 crystallizes in a monoclinic system. The lattice parameters are: a = 6.857(2), b = 9.763(2), c = 15.340(4) .10-10 m, β = 90.34(2)° and the volume of the unit cell V = 1027(1) . 10-30 m3; the specific weight was measured as dm = 1.76 Mg m-3 and calculated as dc = 1.74 Mg m-3. The number of formula units in the unit cell, Z = 4, and the symmetry space group is P21/c.

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