Structural Study of Torquatone, an Acylphloroglucinol Derivative From Eucalyptus Species

1995 ◽  
Vol 48 (10) ◽  
pp. 1771 ◽  
Author(s):  
EL Ghisalberti ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Solid State ◽  
Essential Oils ◽  
Single Crystal ◽  
Structural Study ◽  
Room Temperature ◽  
Eucalyptus Species ◽  
State Structure ◽  
Solid State Structure ◽  
X Ray

The solid-state structure of torquatone (1), an acylphloroglucinol derivative from the essential oils of a number of Eucalyptus species, has been determined by a single-crystal room-temperature X-ray study. Crystals of (1) are monoclinic, P21/c, a 10.470(8), b 20.53(1), c 7.696(6) Ǻ, β 95.91(7)۰, Z = 4; R was 0.054 for 1877 independent 'observed' [I > 3σ(I)] diffractometer reflections.

Structural Study of an Acyclic Diterpene From Eremophila Species

1996 ◽  
Vol 49 (6) ◽  
pp. 701 ◽  
Author(s):  
YM Syah ◽  
EL Ghisalberti ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Structural Study ◽  
Room Temperature ◽  
State Structure ◽  
Solid State Structure ◽  
X Ray

The solid-state structure of the semicarbazone derivative (3) of the aldehyde diacid (1), an acyclic diterpene isolated from Eremophila species, has been determined by a single-crystal room-temperature X-ray study. Crystals of (3) are triclinic, Pī , a 14.642(7), b 14.371(6), c 12.823(6) Ǻ, α 76.59(4), β 66.09(4), γ 72.97(4)°, Z = 4; R was 0.052 for 2265 independent 'observed' (I > 3σ(I)) diffractometer reflections.

Structural Study of Dehydrocurvularin, an Inhibitor of Microtubule Assembly

1994 ◽  
Vol 47 (6) ◽  
pp. 1193 ◽  
Author(s):  
F Almassi ◽  
EL Ghisalberti ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Structural Study ◽  
Room Temperature ◽  
Microtubule Assembly ◽  
State Structure ◽  
Fungal Metabolite ◽  
Solid State Structure ◽  
X Ray ◽  
Opposite Helicity

The solid-state structure of the fungal metabolite E-dehydrocurvularin (2), an inhibitor of microtubule assembly, has been determined by a single-crystal room-temperature X-ray study for comparison with curvularin (1). Crystals of (2) are orthorhombic, P212121, a 17.757(9), b 10.031(6), c 8.069(4) Ǻ, Z = 4; R was 0.060 for 988 independent 'observed' [I > 3σ(I)] diffractometer reflections. The results of this study show that (1) and (2) adopt opposite helicity in the solid state.

Synthesis and structural characterization of a magnesium phthalocyanine(3–) anion

2012 ◽  
Vol 16 (01) ◽  
pp. 154-162 ◽  
Author(s):  
Edwin W.Y. Wong ◽  
Daniel B. Leznoff
Keyword(s):  
Absorption Spectrum ◽  
Solid State ◽  
Single Crystal ◽  
Structural Characterization ◽  
Heterometallic Complex ◽  
State Structure ◽  
Solid State Structure ◽  
X Ray ◽  
X Ray Crystallography

The reduction of magnesium phthalocyanine (MgPc) with 2.2 equivalents of potassium graphite in 1,2-dimethoxyethane (DME) gives [K2(DME)4]PcMg(OH)(1) in 67% yield. Compound 1 was structurally characterized using single crystal X-ray crystallography and was found to be a monomeric, heterometallic complex consisting of a μ3-OH ligand that bridges a [MgIIPc3-]- anion to two potassium cations solvated by four DME molecules. An absorption spectrum of 1 confirms the Pc ligand is singly reduced and has a 3–charge. The solid-state structure of 1 does not indicate breaking of the aromaticity of the Pc ligand. Compound 1 is only the second Pc3- complex and the first reduced MgPc to be isolated and structurally characterized.

N–O Bond Cleavage During the Deprotonation of N,O-Bis(trimethylsilyl)hydroxylamine

2008 ◽  
Vol 63 (3) ◽  
pp. 339-341 ◽  
Author(s):  
Ajay Venugopal ◽  
Alexander Willner ◽  
Norbert W. Mitzel
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Bond Cleavage ◽  
State Structure ◽  
X Ray Diffraction ◽  
Solid State Structure ◽  
X Ray ◽  
Potassium Hydride ◽  
Oxygen Atoms

The reaction of N,O-bis(trimethylsilyl)hydroxylamine with potassium hydride in pentane affords a product of the formula {K6[OSiMe3]4[ON(SiMe3)2]2}, resulting from deprotonation followed by N-O bond cleavage and 1,2-silylshift. The compound was characterised by elemental analysis and by single crystal X-ray diffraction. The aggregate consists of a K3O3 bis-cubane core, with N(SiMe3)2 groups at the oxygen atoms shared by the two cubes, andMe3Si groups attached to the four O vertices. Two weak K···N interactions are also detected in the solid state structure.

Notizen: Solid State Structure of N,N-Dibenzylhydroxylamine

1995 ◽  
Vol 50 (4) ◽  
pp. 699-701 ◽  
Author(s):  
Norbert W. Mitzel ◽  
Jürgen Riede ◽  
Klaus Angermaier ◽  
Hubert Schmidbaur
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
State Structure ◽  
X Ray Diffraction ◽  
Space Group ◽  
Solid State Structure ◽  
X Ray

The solid-state structure of N,N-dibenzylhydroxylamine (1) has been determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P 21/n with four formula units in the unit cell. N,N-dibenzylhydroxylamine dimerizes to give N2O2H2 sixmembered rings as a result of the formation of two hydrogen bonds O - H ··· N in the solid state.

Synthesis of Diferrocenylethyne by Molybdenum-Catalyzed Metathesis of 1-Ferrocenylprop-1-yne

2003 ◽  
Vol 68 (10) ◽  
pp. 1897-1903 ◽  
Author(s):  
Martin Kotora ◽  
David Nečas ◽  
Petr Štěpnička
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
State Structure ◽  
X Ray Diffraction ◽  
Catalytic Systems ◽  
Solid State Structure ◽  
X Ray

Diferrocenylethyne (1) was synthesized by metathesis of 1-ferrocenylprop-1-yne using various catalytic systems based on [Mo(CO)6] (5 mole %) and a chlorophenol (30 mole %) in toluene. The yields varied for different chlorophenols; the best conversions were obtained with 2,5-dichlorophenol (66%) and 4-chlorophenol (55%). Alkyne 1 was further reduced to the known (E)-1,2-diferrocenylethene and 1,2-diferrocenylethane, and its solid-state structure determined by single-crystal X-ray diffraction.

scholarly journals Investigating Differences and Similarities between Betaxolol Polymorphs

Crystals ◽  
2019 ◽  
Vol 9 (10) ◽  
pp. 509 ◽  
Author(s):  
Patrizia Rossi ◽  
Paola Paoli ◽  
Stella Milazzo ◽  
Laura Chelazzi ◽  
Andrea Ienco ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Blocking Agent ◽  
Rotational Isomer ◽  
State Structure ◽  
X Ray Diffraction ◽  
Solid State Structure ◽  
X Ray ◽  
Β Blocker ◽  
Adrenergic Blocking

Betaxolol belongs to the class of β1-adrenergic blocking agent. Several polymorphs of racemic betaxolol have been reported in the literature, but only one of them (BE_I) had the crystal structure determined from single-crystal X-ray diffraction. Here, we present a new crystalline phase of betaxolol (BE_IV). Its solid-state structure has been obtained from single-crystal X-ray diffraction data. The molecular and crystal arrangements of betaxolol in BE_IV have been further investigated by molecular modelling, by Cambridge Structural Database (CSD) surveys and by Hirshfeld surface analysis. A comparison with the solid-state structure of BE_I have been carried out. In the two polymorphs the 2-hydroxy-3-(isopropylamino)-propoxy chain, which is common to other β-blocker drugs, adopts a different conformation. In addition, the rotational isomer found in BE_IV is different with respect to the four already observed in the solid-state structure of analogous compounds. In both the polymorphs, the most significant interaction is due to the H-bonds involving the OH group as donor and the NH as acceptor, while the interaction where OH works as acceptor (NH acts as donor) is definitely less important. The resulting H-bond patterns are however different: Alternate R2,2(10) a > a (OH donors) and R2,2(10) b > b (OH acceptors) in BE_I vs. alternate R4,4 (8) a > b > a > b (OH donors) and R2,2 (10) b > b (OH acceptor) in BE_IV.

scholarly journals Synthesis and structure of the donor-free potassium silanide K[SiPh3]

2019 ◽  
Vol 74 (2) ◽  
pp. 153-158 ◽  
Author(s):  
Edith Alig ◽  
Isabelle Georg ◽  
Inge Sänger ◽  
Lothar Fink ◽  
Matthias Wagner ◽  
...  
Keyword(s):  
Solid State ◽  
Room Temperature ◽  
State Structure ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Solid State Structure ◽  
X Ray ◽  
Phenyl Rings ◽  
Short Contacts

AbstractThe donor-free potassium silanide K[SiPh3] was prepared by the reaction of hexaphenyldisilane, Ph3Si–SiPh3, with potassium metal in benzene at room temperature. The solid-state structure, determined by powder X-ray diffraction consists of {K[SiPh3]}2 units, which interact with adjacent dimers to form an infinite chain along the crystallographic c axis (orthorhombic, space group Cmc21, Z=4). The structure features short contacts between the π system of the phenyl rings and the potassium atoms of neighbouring K[SiPh3] units.

Synthesis, characterization, and thermal properties of benzylammonium pentaborate [C6H5CH2NH3][B5O6(OH)4]

2010 ◽  
Vol 75 (9) ◽  
pp. 971-980 ◽  
Author(s):  
Michael A. Beckett ◽  
Peter N. Horton ◽  
Michael B. Hursthouse ◽  
James L. Timmis ◽  
K. Sukumar Varma
Keyword(s):  
Thermal Properties ◽  
Solid State ◽  
Low Temperature ◽  
Boric Acid ◽  
Single Crystal ◽  
High Yield ◽  
Dsc Analysis ◽  
State Structure ◽  
Solid State Structure ◽  
X Ray

[C6H5CH2NH3][B5O6(OH)4] was obtained as colourless crystals in high yield from a MeOH/ H2O (1:1) solution of benzylamine and boric acid (1:5). A single-crystal X-ray study confirmed that the solid-state structure was comprised of a supramolecular H-bonded pentaborate anion lattice, templated by the benzylammonium cations which occupy positions within the lattice cavities. Each pentaborate anion formed 4 H-bonds to 4 neighbouring pentaborate anions at α,α,α,β acceptor sites. Additionally, each cation H-bonds to 3 pentaborate anions. Crystals were monoclinic, P21/c, with a = 9.3511(2) Å, b = 14.5157(4) Å, c = 10.4670(2) Å, β = 90.778(2)°, T = 120 K, V = 1420.64(6) Å3, and Z = 4. TGA/DSC analysis showed that [C6H5CH2NH3][B5O6(OH)4] thermally decomposed in air at 800 °C to 2.5B2O3, via a low-temperature (200–250 °C) dehydration step to a condensed pentaborate.

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