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X-ray and computational structural study of neutral bis(N,N,N′,N′-tetramethylthiophosphoramidoyl)-methylamine

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Abstract

The structure of bis(N,N,N′,N′-tetramethylthiophosphoramidoyl)-methylamine 1 has been determined by single-crystal X-ray diffraction. The compound 1 crystallizes in the monoclinic system, with a space group P21/c, a = 11.836(2) Å, b = 11.659(2) Å, c = 12.796(5) Å and β = 95.28(3)°, V = 1758.3(5) Å3 and Z = 4. The X-ray crystallographic data have been assessed by semi-empirical and ab-initio density functional theory and by Hartree–Fock molecular orbital methods. A comparative study of the results of the different methods is given.

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Acknowledgment

Professor Ahmed DRISS is deeply acknowledged for his helpful discussions during the preparation of this work.

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Authors and Affiliations

  1. Département de Chimie, Faculté des Sciences de Tunis, Université Tunis El Manar, Campus Universitaire, Tunis El Manar, 2092, Tunisia

    Khaled Alouani, Noureddine Raouafi & Abderrahmen Guesmi

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  1. Khaled Alouani
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  2. Noureddine Raouafi
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  3. Abderrahmen Guesmi
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Correspondence to Noureddine Raouafi.

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Alouani, K., Raouafi, N. & Guesmi, A. X-ray and computational structural study of neutral bis(N,N,N′,N′-tetramethylthiophosphoramidoyl)-methylamine. Struct Chem 18, 569–572 (2007). https://doi.org/10.1007/s11224-007-9176-8

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  • DOI: https://doi.org/10.1007/s11224-007-9176-8

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