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 and structure of the λ 6Si-silicate [Cs(18-crown-6)]2[Si(OSO2CH3)6]

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Isabelle Georg ◽  
Michael Bolte ◽  
Matthias Wagner ◽  
Hans-Wolfram Lerner
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Single Crystal ◽  
State Structure ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
Solid State Structure ◽  
X Ray

Abstract The λ 6Si-silicate [Cs(18-crown-6)]2[Si(OSO2CH3)6] (1) was synthesized by treatment of Si2Cl6 with Cs[OSO2CH3] in the presence of 18-crown-6. Compound 1 is the first example of a λ 6Si-silicate with a methanesulfonate ligand. It was characterized by NMR spectroscopy and by single-crystal X-ray diffraction. The solid-state structure of 1 consists of discrete [Si(OSO2CH3)6]2– anions and two [Cs(18-crown-6)]+ cations (triclinic space group, P 1 ¯ $P\overline{1}$ , Z = 1).

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.

Molecular and crystal structure of a copper(II) complex of sildenafil

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Akhmatkhodja N. Yunuskhodjayev ◽  
Shokhista F. Iskandarova ◽  
Vahobjon Kh. Sabirov
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Piperazine Ring ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

Abstract The crystal structure of a copper(II) complex of protonated sildenafil, CuCl3C22H31N6O4S⋅2H2O was studied by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group P21/n with the unit cell parameters a = 15.4292(2), b = 9.06735(12), c = 21.1752(2) Å, V = 2945.48(7) Å3, Z = 4. The Cu atom is coordinated by the sildenafil ligand via the N2 atom of the pyrazolopyrimidine ring and by three chloride anions. Sildenafil is protonated at the methylated N6 atom of the piperazine ring and it is cation ligand with a 1+ charge.

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.

The Crystal Structure of Bis(2,2′:6′,2″-terpyridine)nickel(II) Perchlorate Hydrate

1995 ◽  
Vol 48 (7) ◽  
pp. 1373 ◽  
Author(s):  
AT Baker ◽  
DC Craig ◽  
AD Rae
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystal ◽  
Least Squares ◽  
Axial Compression ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Octahedral Symmetry ◽  
Space Group ◽  
X Ray

The crystal structure of bis (2,2′:6′,2″-terpyridine)nickel(II) bis (perchlorate) hydrate has been determined by single-crystal X-ray diffractometry . The compound is monoclinic, space group P21, with two molecules in a unit cell of dimensions a 8.827(4), b 8.910(2), c 20.148(9) Ǻ, β 98.71(2)°. The structure was refined by least-squares to a residual of 0.065 for 2184 observed reflections. The compound is found to be isomorphic with the iron(II) analogue previously reported: the cation has approximate D2d symmetry, with the main distortion from octahedral symmetry being an axial compression. Both the solid state reflectance and solution spectra have been measured and some significant differences are noted.

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.

Structure and Fluorescent Properties of a Chiral Cd(II) Complex: Cd(bpy)(H2O)(PhCH=CHCO2)2

2007 ◽  
Vol 62 (9) ◽  
pp. 1139-1142
Author(s):  
Xian-Wen Wang ◽  
Jing-Zhong Chen ◽  
Jian-Hong Liu
Keyword(s):  
Solid State ◽  
Hydrogen Bonds ◽  
Single Crystal ◽  
Cinnamic Acid ◽  
Monoclinic Space Group ◽  
Fluorescent Properties ◽  
Complex Molecules ◽  
Space Group ◽  
X Ray ◽  
Cell Dimensions

Reaction of Cd(CO3)2, cinnamic acid and 2,2 ' -bipyridine (bpy) in CH3OH/H2O afforded a new chiral Cd(II) complex, Cd(bpy)(H2O)(PhCH=CHCO2)2 (1). Single crystal X-ray analysis shows that complex 1 crystallizes in the monoclinic space group P21 with the cell dimensions: a = 10.081(2), b = 9.2657(19), c = 13.748(3) Å , β = 103.02(3)°, V = 1251.2(4) Å3, Z = 2. The seven-coordinated Cd atoms are in a severely distorted capped trigonal prism geometry. The complex molecules are assembled via strong O-H· · ·O hydrogen bonds into chains along the [010] direction. Complex 1 exhibits weak fluorescence in the solid state at r. t.

Synthesis and Crystal Structure of 5,10,15,20-Tetrakis(3,5-dinitrophenyl)porphyrin

1998 ◽  
Vol 02 (05) ◽  
pp. 391-396 ◽  
Author(s):  
P. BHYRAPPA ◽  
K. S. SUSLICK
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Structure Data ◽  
Crystal Structure Data ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
State Structure ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray

The synthesis, characterization and crystal structure of the octanitro-substituted porphyrin 5,10,15,20-tetrakis(3,5-dinitrophenyl)porphyrin, H 2 T (3,5- DNP ) P , are described. The solid state structure has two porphyrins in the unit cell with eight pyridine solvates and is made up from columnar arrays of the porphyrins. X-ray crystal structure data: monoclinic, space group P1 21/n1, a = 14.9996(9) Å, b = 8.2489(5) Å, c = 24.818(2) Å, α = 90 °, β = 104.172(1) °, γ = 90 °, V = 2977.3(3) Å3, dcalc = 1.440 g m-3, Z = 2.

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