The Structure of a Non-Symmetric Disordered Tetramer: A Crystallographic and Solid State Multinuclear NMR Study of the Properties of 3(5)-Ethyl-5(3)-Phenyl-1H-Pyrazole-Reference-Cited by-同舟云学术

The Structure of a Non-Symmetric Disordered Tetramer: A Crystallographic and Solid State Multinuclear NMR Study of the Properties of 3(5)-Ethyl-5(3)-Phenyl-1H-Pyrazole

Published:2006-06-01 Issue:4 Volume:18 Page:349-356
ISSN:1061-0278
Container-title:Supramolecular Chemistry
language:en
Short-container-title:Supramolecular Chemistry

Author:

Claramunt Rosa M.¹,Cornago Pilar¹,Santa María M. Dolores¹,Torres Verónica¹,Pinilla Elena²,Torres M. Rosario²,Elguero José³

Affiliation:

1. a Facultad de Ciencias, UNED, Departamento de Química Orgánica y Bio-Orgánica , Senda del Rey 9, E-28040, Madrid, Spain

2. b Facultad de Ciencias Químicas Universidad Complutense de Madrid, Química Inorgánica I , E-28040, Madrid, Spain

3. c Instituto de Química Médica (CSIC) , Juan de la Cierva 3, E-28006, Madrid, Spain

Publisher

Informa UK Limited

Subject

General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/10610270600594865

Reference20 articles.

1. Towards a realistic model for the quantitative evaluation of intermolecular potentials and for the rationalization of organic crystal structures. Part I. PhilosophyElectronic Supplementary Information (ESI) is available: the GAUSSIAN input files, the Pixel-SCDS input and output files have been deposited. See http://www.rsc.org/suppdata/ce/b3/b311831b/

2. Towards a realistic model for the quantitative evaluation of intermolecular potentials and for the rationalization of organic crystal structures. Part II. Crystal energy landscapesFor Part I, see ref. 4.Electronic Supplementary Information (ESI) is available: the crystallographic coordinates of all the crystal stuctures considered and the SCDS-Pixel input and output files have been deposited. See http://www.rsc.org/suppdata/ce/b3/b311836c/

3. Triazinone tautomers: solid phase energetics

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