Comparative Study of Molecular Mechanics and Theoretical Conformational Analysis of a New 16-Crown-5 Ether via X-ray Crystallography and NMR Spectroscopy

Chia-Ching Su; Li-Hwa Lu; Lilian Kao Liu

doi:10.1021/jp030030z

Comparative Study of Molecular Mechanics and Theoretical Conformational Analysis of a New 16-Crown-5 Ether via X-ray Crystallography and NMR Spectroscopy

The Journal of Physical Chemistry A ◽

10.1021/jp030030z ◽

2003 ◽

Vol 107 (22) ◽

pp. 4563-4567 ◽

Cited By ~ 17

Author(s):

Chia-Ching Su ◽

Li-Hwa Lu ◽

Lilian Kao Liu

Keyword(s):

Nmr Spectroscopy ◽

Comparative Study ◽

Conformational Analysis ◽

Molecular Mechanics ◽

Theoretical Conformational Analysis ◽

X Ray ◽

X Ray Crystallography

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ChemInform Abstract: Conformational Analysis of 2-Aminotetralins: Molecular Mechanics Calculations, X-Ray Crystallography and NMR Spectroscopy.

ChemInform ◽

10.1002/chin.199410035 ◽

2010 ◽

Vol 25 (10) ◽

pp. no-no

Author(s):

A. KARLEN ◽

A. HELANDER ◽

A. M. JOHANSSON ◽

L. KENNE ◽

S. SUNDELL ◽

...

Keyword(s):

Nmr Spectroscopy ◽

Conformational Analysis ◽

Molecular Mechanics ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography

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ChemInform Abstract: Rotamers and Isomers in the Fulgide Series. Part 1. Stereochemistry and Conformational Analysis of Bis-(3,4-dimethoxybenzylidene)succinic Anhydrides by X-Ray Crystallography and Molecular Mechanics.

ChemInform ◽

10.1002/chin.198903052 ◽

1989 ◽

Vol 20 (3) ◽

Author(s):

J. C. A. BOEYENS ◽

L. DENNER ◽

G. W. PEROLD

Keyword(s):

Conformational Analysis ◽

Molecular Mechanics ◽

X Ray ◽

X Ray Crystallography

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Conformational analysis of some model crown ethers and analogues via 1H and 13C NMR spectroscopy and X-ray crystallography.

10.22215/etd/1995-02955 ◽

1995 ◽

Author(s):

Mark Reynolds

Keyword(s):

Nmr Spectroscopy ◽

Conformational Analysis ◽

Crown Ethers ◽

13C Nmr ◽

13C Nmr Spectroscopy ◽

1H And 13C Nmr ◽

X Ray ◽

X Ray Crystallography

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ChemInform Abstract: Conformational Study of N-Nitroso-2,6-diphenylpiperidines and N- Nitroso-2,6-diphenylpiperidin-4-ones by Molecular Mechanics Calculations, X-Ray Crystallography, and 1H and 13C NMR Spectroscopy.

ChemInform ◽

10.1002/chin.199614042 ◽

2010 ◽

Vol 27 (14) ◽

pp. no-no

Author(s):

M. GDANIEC ◽

M. J. MILEWSKA ◽

T. POLONSKI

Keyword(s):

Nmr Spectroscopy ◽

Molecular Mechanics ◽

13C Nmr ◽

13C Nmr Spectroscopy ◽

Conformational Study ◽

Molecular Mechanics Calculations ◽

1H And 13C Nmr ◽

X Ray ◽

X Ray Crystallography

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ChemInform Abstract: Conformational Analysis of 14-Membered Macrolides Using X-Ray Crystallography and Molecular Mechanics Calculations.

ChemInform ◽

10.1002/chin.198909053 ◽

1989 ◽

Vol 20 (9) ◽

Author(s):

T. H. KELLER ◽

E. G. NEELAND ◽

S. RETTIG ◽

J. TROTTER ◽

L. WEILER

Keyword(s):

Conformational Analysis ◽

Molecular Mechanics ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography

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Synthesis of new N2S2 ligands and Re(V)O(N2S2) analogues of 99mTc renal imaging agents. Characterization by NMR spectroscopy, molecular mechanics calculations, and X-ray crystallography

Inorganica Chimica Acta ◽

10.1016/s0020-1693(02)00960-x ◽

2002 ◽

Vol 339 ◽

pp. 327-340 ◽

Cited By ~ 19

Author(s):

Malgorzata Lipowska ◽

Lory Hansen ◽

Renzo Cini ◽

Xiaolong Xu ◽

Hoon Choi ◽

...

Keyword(s):

Nmr Spectroscopy ◽

Molecular Mechanics ◽

Imaging Agents ◽

Molecular Mechanics Calculations ◽

Renal Imaging ◽

X Ray ◽

X Ray Crystallography

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Chiral polyhydroxylated tetrahydrothiophene derivatives: novel synthesis and structural elucidation by X-ray crystallography, NMR spectroscopy and molecular mechanics calculations

Journal of the Chemical Society Perkin Transactions 1 ◽

10.1039/p19930001255 ◽

1993 ◽

pp. 1255 ◽

Cited By ~ 5

Author(s):

A. V. Rama Rao ◽

K. Ashok Reddy ◽

N. R. Srinivas ◽

M. K. Gurjar ◽

N. Padmaja ◽

...

Keyword(s):

Nmr Spectroscopy ◽

Molecular Mechanics ◽

Structural Elucidation ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography ◽

Novel Synthesis

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ChemInform Abstract: Chiral Polyhydroxylated Tetrahydrothiophene Derivatives: Novel Synthesis and Structural Elucidation by X-Ray Crystallography, NMR Spectroscopy and Molecular Mechanics Calculations.

ChemInform ◽

10.1002/chin.199340182 ◽

2010 ◽

Vol 24 (40) ◽

pp. no-no

Author(s):

A. V. R. RAO ◽

K. A. REDDY ◽

N. R. SRINIVAS ◽

M. K. GURJAR ◽

N. PADMAJA ◽

...

Keyword(s):

Nmr Spectroscopy ◽

Molecular Mechanics ◽

Structural Elucidation ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography ◽

Novel Synthesis

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Conformational Study of N-Nitroso-2,6-diphenylpiperidines and N-Nitroso-2,6-diphenylpiperidin-4-ones by Molecular Mechanics Calculations, X-ray Crystallography, and 1H and 13C NMR Spectroscopy

The Journal of Organic Chemistry ◽

10.1021/jo00128a011 ◽

1995 ◽

Vol 60 (23) ◽

pp. 7411-7418 ◽

Cited By ~ 39

Author(s):

Maria Gdaniec ◽

Maria J. Milewska ◽

Tadeusz Po-lonski

Keyword(s):

Nmr Spectroscopy ◽

Molecular Mechanics ◽

13C Nmr ◽

13C Nmr Spectroscopy ◽

Conformational Study ◽

Molecular Mechanics Calculations ◽

1H And 13C Nmr ◽

X Ray ◽

X Ray Crystallography

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Molecular structure of [4-(4-cyanobenzoyl) phenyl] 1,5-dithio-β-d-xylopyranoside (naroparcil) in the solid state and in solution: An investigation by X-ray crystallography, molecular mechanics calculations, and NMR spectroscopy

Carbohydrate Research ◽

10.1016/0008-6215(96)00013-4 ◽

1996 ◽

Vol 284 (1) ◽

pp. 35-49 ◽

Cited By ~ 2

Author(s):

Jean-Yves Le Questel ◽

Nadine Mouhous-Riou ◽

Serge Pérez

Keyword(s):

Molecular Structure ◽

Solid State ◽

Nmr Spectroscopy ◽

Molecular Mechanics ◽

Molecular Mechanics Calculations ◽

X Ray ◽

X Ray Crystallography

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