A low-temperature polymorph ofm-quinquephenyl

2012 ◽  
Vol 68 (12) ◽  
pp. o492-o497 ◽  
Author(s):  
Ligia R. Gomes ◽  
R. Alan Howie ◽  
John Nicolson Low ◽  
Ana S. M. C. Rodrigues ◽  
Luís M. N. B. F. Santos
Keyword(s):  
Low Temperature ◽  
Cell Volume ◽  
Room Temperature ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Geometric Parameters ◽  
Asymmetric Unit ◽  
Cell Axis ◽  
Space Group ◽  
Π Interactions

A low-temperature polymorph of 1,1′:3′,1′′:3′′,1′′′:3′′′,1′′′′-quinquephenyl (m-quinquephenyl), C30H22, crystallizes in the space groupP21/cwith two molecules in the asymmetric unit. The crystal is a three-component nonmerohedral twin. A previously reported room-temperature polymorph [Rabideau, Sygula, Dhar & Fronczek (1993).Chem. Commun.pp. 1795–1797] also crystallizes with two molecules in the asymmetric unit in the space groupP\overline{1}. The unit-cell volume for the low-temperature polymorph is 4120.5 (4) Å3, almost twice that of the room-temperature polymorph which is 2102.3 (6) Å3. The molecules in both structures adopt a U-shaped conformation with similar geometric parameters. The structural packing is similar in both compounds, with the molecules lying in layers which stack perpendicular to the longest unit-cell axis. The molecules pack alternately in the layers and in the stacked columns. In both polymorphs, the only interactions between the molecules which can stabilize the packing are very weak C—H...π interactions.

X-ray powder diffraction data for tetrazene nitrate monohydrate, C2H9N11O4

2021 ◽  
pp. 1-3
Author(s):  
J. Maixner ◽  
J. Ryšavý
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

X-ray powder diffraction data, unit-cell parameters, and space group for tetrazene nitrate monohydrate, C2H9N11O4, are reported [a = 5.205(1) Å, b = 13.932(3) Å, c = 14.196(4) Å, β = 97.826(3)°, unit-cell volume V = 1019.8(4) Å3, Z = 4, and space group P21/c]. All measured lines were indexed and are consistent with the P21/c space group. No detectable impurities were observed.

X-ray powder diffraction data for copper(II), bis[(2E)-3-methoxy-2-[(2,6-dimethylphenyl)imino]-4-[(2,6-dimethylphenyl)imino-κN]-3-pentanolato-κO] complex

2013 ◽  
Vol 28 (4) ◽  
pp. 296-298
Author(s):  
R. Pažout ◽  
J. Maixner ◽  
A.S. Jones ◽  
J. Merna
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

X-ray powder diffraction data, unit-cell parameters, and space group for a new bis(β-diiminato) Cu(II) complex, C44H54CuN4O4, are reported [a = 8.683(3) Å, b = 11.216(3) Å, c = 11.753(4) Å, α = 66.27(3), β = 84.61(3), γ = 78.85(3), unit-cell volume V = 1027.77 Å3, Z = 1, and space group P-1]. All measured lines were indexed and are consistent with the P-1 space group. No detectable impurity was observed.

X-ray powder diffraction data for deoxyschisandrin

2013 ◽  
Vol 28 (3) ◽  
pp. 231-233 ◽  
Author(s):  
Li Li Zhang ◽  
Qing Qing Pan ◽  
Dan Xiao ◽  
Xiao Qing Wu ◽  
Qing Wang ◽  
...  
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

X-ray powder diffraction data, unit-cell parameters, and space group for deoxyschisandrin, C24H32O6, are reported [a = 13.083(3) Å, b = 19.563(9) Å, c = 8.805(6) Å, β = 90.472(0)°, unit-cell volume V = 2253.82 Å3, Z = 4, and space group P21]. All measured lines were indexed and are consistent with the P21 space group. No detectable impurity was observed.

X-ray powder diffraction data for 7-ethyl-14-nitro-camptothecin, C22H19N3O6

2018 ◽  
Vol 33 (4) ◽  
pp. 327-329
Author(s):  
Wan Wang ◽  
Zili Suo ◽  
Lidong Liao ◽  
Hui Li
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

X-ray powder diffraction (XRD) data, unit-cell parameters and space group for 7-ethyl-14-nitro-camptothecin, C22H19N3O6, are reported [a = 10.987(5) Å, b = 10.941 (9) Å, c = 8.438 (2) Å, α = 71.321(6)°, β = 96.145(0)°, γ = 95.139(3)°, unit-cell volume V = 953.87 Å3, Z = 2, ρcal = 1.467 g cm−3, and space group P-1]. All measured lines were indexed and are consistent with the P-1 space group. No detectable impurities were observed.

X-ray powder diffraction data for estra-4,9-diene-3,17-dione, C18H22O2

2020 ◽  
Vol 35 (4) ◽  
pp. 282-285
Author(s):  
Zhicheng Zha ◽  
Ting Tang ◽  
Xiaoyan Bian ◽  
Qing Wang
Keyword(s):  
Single Crystal ◽  
Cell Volume ◽  
Powder Diffraction ◽  
Structure Data ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

X-ray powder diffraction data for estra-4,9-diene-3,17-dione, C18H22O2, are reported [a = 9.236(7) Å, b = 10.294(4) Å, c = 15.471(1) Å, unit cell volume V = 1471.11 Å3, Z = 4, and space group P212121]. All measured lines were indexed and are consistent with the P212121 space group. No detectable impurities were observed. The single-crystallographic data of the compound are also reported [a = 9.2392(7) Å, b = 10.2793(5) Å, c = 15.4822(7) Å, unit cell volume V = 1470.37(15) Å3, Z = 4, and space group P212121]. Both single-crystal and powder diffraction methods can get the similar structure data.

X-ray powder diffraction data for bis (1-amidino-2-ethylisourea) copper(II) nitrate

2013 ◽  
Vol 28 (4) ◽  
pp. 289-292
Author(s):  
J. Maixner
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

X-ray powder diffraction data, unit-cell parameters and space group for C8H20CuN10O8 are presented [a = 5.262 (2) Å, b = 14.051 (3) Å, c = 12.183 (3) Å, β = 96.912 (5)°, unit-cell volume V = 894.3 Å3, Z = 2, space group P21/n]. All measured lines were indexed and are consistent with the P21/n space group. No detectable impurities were observed.

X-ray powder diffraction data for 2-[((3R)-5-oxo-4-phenyltetrahy drofuran-3-yl)methyl]isoindoline-1,3-dione, C19H15NO4

2016 ◽  
Vol 31 (2) ◽  
pp. 155-158
Author(s):  
Shoujun Zheng ◽  
Kailin Xu ◽  
Qing Wang ◽  
XiaoLin Tang ◽  
Yanmei Huang ◽  
...  
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Element Analysis ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

2-[((3R)-5-oxo-4-phenyltetrahydrofuran-3-yl)methyl]isoindoline-1,3-dione, C19H15NO4, was synthesized for the first time. Its structure was characterized by element analysis, ultraviolet spectrometry, nuclear magnetic resonance, and single X-ray diffraction (SXRD). X-ray powder diffraction (XRPD) data of title compound were collected and calculated. The result of SXRD shows that its crystal system is orthorhombic, space group is Pbca, and unit-cell parameters are a = 8.861 57(7), b = 14.6666(10), c = 24.4247(19) Å, α =β =γ =90°, unit-cell volume V = 3174.4 Å3, and Z = 8. All XRPD measured lines were indexed and consistent with the Pbca space group [a = 14.639(7), b = 24.378(3), c = 8.918(1) Å, α = β = γ = 90°, unit-cell volume V = 3182.7(9) Å3, Z = 8]. No detectable impurities were observed.

X-ray powder diffraction data for norethindrone

2013 ◽  
Vol 29 (1) ◽  
pp. 46-47 ◽  
Author(s):  
Pei Xiao Tang ◽  
Xiao Qing Wu ◽  
Li Li Zhang ◽  
Qiang Cheng ◽  
Hui Li
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Experimental X-ray powder diffraction data, unit-cell parameters, and space group for norethindrone, C20H26O2, are reported [a = 20.7484(12) Å, b = 12.1678(9) Å, c = 6.5561(2) Å, α = β = γ = 90°, unit-cell volume V = 1655.17(16) Å3, Z = 4 and space group P212121]. All measured lines were indexed and are consistent with the P212121 space group. No detectable impurity was observed.

A new polymorph of bis[2,6-bis(1H-benzimidazol-2-yl-κN3)pyridinido-κN]zinc(II)

2012 ◽  
Vol 69 (1) ◽  
pp. 47-51 ◽  
Author(s):  
Miguel Angel Harvey ◽  
Sebastián Suarez ◽  
Fabio Doctorovich ◽  
Ricardo Baggio
Keyword(s):  
Cell Volume ◽  
Title Compound ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Acta Cryst ◽  
Space Group ◽  
Twofold Axis ◽  
Present Structure

The title compound, [Zn(C19H12N5)2], crystallizes in the tetragonal space groupP43212, with the monomer residing on a twofold axis. The imidazole N-bound H atoms are disordered over the two positions, with refined occupancies of 0.59 (3) and 0.41 (3). The strong similarities to, and slight differences from, a reportedP42212 polymorph which has a 50% smaller unit-cell volume [Harvey, Baggio, Muñoz & Baggio (2003).Acta Cryst.C59, m283–m285], to which the present structure bears a group–subgroup relationship, are discussed.

X-ray powder diffraction data for (1R, 5S, 7R)-7-[(S)-4-tert-Butyl-4,5-dihydrooxazole-2-yl] -1,5,7-trimethyl-3-azabicyclo-[3.3.1]-nonane-2,4-dione, a new chiral Kemp’s acid diamide

2011 ◽  
Vol 26 (4) ◽  
pp. 335-336
Author(s):  
R. Pažout ◽  
J. Maixner ◽  
J. Přech ◽  
P. Kačer
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

X-ray powder diffraction data, unit-cell parameters and space group for a new chiral Kemp’s acid diamide, C18H28N2O3, are reported [a = 12.456(2) Å, b = 12.471(2) Å, c = 12.088(2) Å, β = 99.003(2)°, unit-cell volume V = 1854,48 Å3, Z = 4, space group P21]. All measured lines were indexed and are consistent with the P21 space group. No detectable impurity was observed.

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