Ultrafast Molecular Structure Determination of Fragmentation Pathways of Acetylene

The use of spectrometry and chromatography permitted the elucidation of the structures of various carbonates and diglycol carbonates as well as the predication of fragmentation pathways for these classes of compounds.

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Precision neutron diffraction structure determination of protein and nucleic acid components. IX. The crystal and molecular structure of 4-hydroxy-L-proline

Acta Crystallographica Section B ◽

10.1107/s0567740873002256 ◽

1973 ◽

Vol 29 (2) ◽

pp. 231-236 ◽

Cited By ~ 52

Author(s):

T. F. Koetzle ◽

M. S. Lehmann ◽

W. C. Hamilton

Keyword(s):

Molecular Structure ◽

Nucleic Acid ◽

Neutron Diffraction ◽

Structure Determination ◽

Crystal And Molecular Structure ◽

Diffraction Structure

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X-Ray crystal and molecular structure determination of a novel bicyclic system. 2-p-Bromophenyl-1,3-diazabicyclo[3,1,0] hexane

Journal of the Chemical Society Chemical Communications ◽

10.1039/c3975000130a ◽

1975 ◽

pp. 130a ◽

Cited By ~ 4

Author(s):

S. A. Hiller ◽

Ya. Ya. Bleidelis ◽

A. A. Kemme ◽

A. V. Eremeyen

Keyword(s):

Molecular Structure ◽

Structure Determination ◽

Crystal And Molecular Structure ◽

X Ray ◽

Bicyclic System ◽

System 2

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STRUCTURE DETERMINATION OF TpRu(PPh3){κ2-N, O-NH=C(Ph)N=C(Ph)O}: A STORY OF HOW COMPUTATIONAL STUDIES CONTRIBUTE TO THE STRUCTURAL CHARACTERIZATION PROCESS

Journal of Theoretical and Computational Chemistry ◽

10.1142/s021963360900471x ◽

2009 ◽

Vol 08 (03) ◽

pp. 417-422 ◽

Cited By ~ 1

Author(s):

WENXU ZHENG ◽

CHUNG WING LEUNG ◽

ZHONGYUAN ZHOU ◽

CHAK PO LAU ◽

ZHENYANG LIN

Keyword(s):

Molecular Structure ◽

Computational Chemistry ◽

Structural Characterization ◽

Structure Determination ◽

Structure Elucidation ◽

Computational Studies

In this paper, we described the process involved in the structure determination of TpRu ( PPh 3){κ2-N, O- NH = C ( Ph ) N = C ( Ph ) O } and demonstrated the tremendous help of computational chemistry in the molecular structure elucidation.

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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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