Refinement of the crystal and molecular structure of 1,2,4-triazole (C2H3N3) at low temperature

A low temperature (-90 °C) X-ray structural analysis of S6 single crystals yielded improved data for the bond distances (206.8 pm), bond angles (102.6°), and torsion angles (73.8°) of the D3d molecule which are in agreement with current theories of homonuclear sulfur bonds.

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The low temperature crystal and molecular structure of beryllium bis(octahydrotriborate), Be(B3H8)2

Journal of the American Chemical Society ◽

10.1021/ja00434a014 ◽

1976 ◽

Vol 98 (18) ◽

pp. 5489-5492 ◽

Cited By ~ 23

Author(s):

Joseph C. Calabrese ◽

Donald F. Gaines ◽

Steven J. Hildebrandt ◽

John H. Morris

Keyword(s):

Molecular Structure ◽

Low Temperature ◽

Crystal And Molecular Structure

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Low-temperature crystal and molecular structure of 3-phenyltetrazolo[4,5-a]pyridinium tetrafluoroborate, C11H9N4.BF4

Acta Crystallographica Section B ◽

10.1107/s0567740879008621 ◽

1979 ◽

Vol 35 (9) ◽

pp. 2145-2149 ◽

Cited By ~ 7

Author(s):

K. Sasvári ◽

M. Czugler ◽

A. Gelléri ◽

G. Náray-Szabó ◽

H. Hess ◽

...

Keyword(s):

Molecular Structure ◽

Low Temperature ◽

Crystal And Molecular Structure

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4,4′-Bithiazoles as Ligands: Crystal and Molecular Structure of bis(O,O′-Nitrato)(2,2′-diphenyl-4,4′-bithiazole)copper(II) (Two Polymorphs)

Australian Journal of Chemistry ◽

10.1071/ch03016 ◽

2003 ◽

Vol 56 (9) ◽

pp. 949 ◽

Cited By ~ 3

Author(s):

S. Ali Asghar Torabi ◽

Fahimeh Jamali ◽

George A. Koutsantonis ◽

Ali Morsali ◽

Brian W. Skelton ◽

...

Keyword(s):

Molecular Structure ◽

Low Temperature ◽

Molecular Complex ◽

Structure Determination ◽

Crystal And Molecular Structure ◽

Plane Angle ◽

Asymmetric Unit ◽

X Ray ◽

Crystallographic Symmetry

A low-temperature single-crystal X-ray structure determination of the 1 : 1 adduct of copper(II) nitrate with 2,2′-diphenyl-4,4′-bithiazole (L) shows it to be a molecular complex with L behaving as a symmetrical N,N′ chelate, and the nitrate groups as unsymmetrical O,O′ chelates: [LCu(O2NO)2]. Two polymorphs, both monoclinic P21/c, have been obtained from acetonitrile (‘α’) and methanol (‘β’), respectively, with one molecule, devoid of crystallographic symmetry, in the asymmetric unit of each structure. The copper environments are distorted planar four-coordinate, cis-N2CuO2 (Cu–N 2.011(1), 1.973(1), Cu–O 1.995(1), 1.962(1) Å), ‘in-plane’ angle sum Σ 369.5°, with longer trans, axial contacts (Cu–O 2.455(1), 2.458(2) Å) for the α-form; respective values are 1.995(5), 1.991(4), 1.997(4), 1.973(3) Å, 360.4°, 2.500(4), and 2.396(4) Å for the β-form.

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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

Zeitschrift für Naturforschung B ◽

10.1515/znb-1998-5-623 ◽

1998 ◽

Vol 53 (5-6) ◽

pp. 634-636 ◽

Cited By ~ 1

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°).

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