Crystal structure determination of 2-oxo-3-benzoyloxazolo[3,2-a]pyridine from X-ray powder data

Abstract By reaction of [B6H6]2-with (SCN)2 in dichloromethane at -80 C° the thiocyanatohexaborate anion is formed and can be isolated by ion exchange chromatography on diethylaminoethyl (DEAE) cellulose. The X-ray structure determination of Cs2[B6H5(SCN)] (orthorhombic, space group Pbca with a = 9.506(5), b = 10.644(5), c = 21.857(5) Å, Z = 8) reveals that the SCN substituent is bonded via the S atom with the B-S distance of 1.885(9) Å and the B-S-C angle of 99.8(5)°. The SCN group is nearly linear (179.9(9)°).

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Aluminiumbromid-Pyridiniumbromid-Verbindung: Kristallstruktur Kristallstrukturbestimmung von [Tris(pyridinium)bromid]bis(tetrabromoaluminat(III))/ Aluminiumbromide-Pyridiniumbromide Compounds: Crystal Structure Crystal Structure Determination of [Tris(pyridinium)bromide]bis(tetrabromoaluminate(III))

Zeitschrift für Naturforschung B ◽

10.1515/znb-1988-0809 ◽

1988 ◽

Vol 43 (8) ◽

pp. 963-965 ◽

Cited By ~ 1

Author(s):

Harald Burger ◽

Karl Hensen ◽

Peter Pickel

Keyword(s):

Crystal Structure ◽

Hydrogen Bonds ◽

Structure Determination ◽

Crystal Structure Determination ◽

Orthorhombic Space Group ◽

Pyridinium Bromide ◽

Space Group ◽

Lattice Constants ◽

Bromide Ion

AbstractThe compound [(PyH)3Br][AlBr4]2 is formed by melting stoichiometric amounts of AlBr/PyHBr in a ratio of 2:3. It crystallizes in the orthorhombic space group Pbca with lattice constants a = 1365.5(2), b = 1616.0(2), c = 2783.7(3) pm, Z = 8, Dc = 2.21 g/cm3. The structure was solved from 2810 diffractometer measured intensities (Cu -Kα radiation) and refined to Rw (F) = 0.071. The cation shows three pyridinium ions attached via N - H - Br hydrogen bonds to a central bromide ion. The N - Br distances are 321(1), 321(2) and 332(2) pm.

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Powder diffraction data for copper hexafluorides: Ba2CuF6 and Pb2CuF6

Powder Diffraction ◽

10.1017/s0885715600014780 ◽

1995 ◽

Vol 10 (3) ◽

pp. 221-222

Author(s):

Maurice Samouël ◽

Patrick Gredin ◽

Ariel de Kozak

Keyword(s):

Crystal Structure ◽

Powder Diffraction ◽

Diffraction Data ◽

Structure Determination ◽

Crystal Structure Determination ◽

Powder Diffraction Data ◽

Space Group ◽

X Ray

Based on the crystal structure determination of orthorhombic Ba2CuF6 (space group Cmca), the previous X-ray powder patterns given for Ba2CuF6 (PDF 21-809) and Pb2CuF6 (PDF 22-654) are reindexed.

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Synthese und Kristallstrukturbestimmung von Cs([18]Krone-6)Au · 8NH3/ Synthesis and Crystal Structure Determination of Cs([18]crown-6)Au· 8NH3

Zeitschrift für Naturforschung B ◽

10.1515/znb-2006-1003 ◽

2006 ◽

Vol 61 (10) ◽

pp. 1205-1208 ◽

Cited By ~ 14

Author(s):

Hanne Nuss ◽

Martin Jansen

Keyword(s):

Crystal Structure ◽

Single Crystal ◽

Structure Determination ◽

Liquid Ammonia ◽

Crystal Structure Determination ◽

Temperature Sensitive ◽

Synthesis And Crystal Structure ◽

Space Group ◽

X Ray

Cs([18]crown-6)Au ・ 8NH3 was synthesized from CsAu and [18]crown-6 in liquid ammonia. The extremely air- and temperature-sensitive colorless, block-shaped crystals were analyzed by single crystal X-ray diffractometry. The compound forms triclinic crystals of space group P1 (no. 1) with a = 8.765(2), b = 11.186(2), c = 13.997(3) Å , α = 86.180(6), β = 89.669(6), γ = 83.774(6)°, V = 1361.2(4) Å3. The crystal structure consists of ammonia nets extending perpendicular to [110] in which the Cs([18]crown-6) fragments and the auride anions are embedded

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Two lithium tricyanomethanide compounds: syntheses and single-crystal structure determination of LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO

Zeitschrift für Naturforschung B ◽

10.1515/znb-2014-0250 ◽

2015 ◽

Vol 70 (3) ◽

pp. 191-196 ◽

Cited By ~ 1

Author(s):

Olaf Reckeweg ◽

Francis J. DiSalvo

Keyword(s):

Crystal Structure ◽

Single Crystal ◽

Single Crystals ◽

Structure Determination ◽

Monoclinic Space Group ◽

Orthorhombic Space Group ◽

Space Group ◽

Cell Parameters ◽

New Compounds

AbstractThe new compounds LiK[C(CN)3]2 and Li[C(CN)3]·½ (H3C)2CO were synthesized and their crystal structures were determined. Li[C(CN)3]·½ (H3C)2CO crystallizes in the orthorhombic space group Ima2 (no. 46) with the cell parameters a=794.97(14), b=1165.1(2) and c=1485.4(3) pm, while LiK[C(CN)3]2 adopts the monoclinic space group P21/c (no. 14) with the cell parameters a=1265.7(2), b=1068.0(2) and c=778.36(12) pm and the angle β=95.775(7)°. Single crystals of K[C(CN)3] were also acquired, and the crystal structure was refined more precisely than before corroborating earlier results.

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