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Synthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide

  1. 1.
    SYSNO ASEP0336343
    Document TypeJ - Journal Article
    R&D Document TypeJournal Article
    Subsidiary JČlánek ve WOS
    TitleSynthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide
    TitleSyntéza, krystalová struktúra a spektroskopické vlastnisti nového carbacylamidofosfátu: N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide
    Author(s) Gholivand, K. (IR)
    Mostaanzadeh, H. (IR)
    Kovaľ, Tomáš (FZU-D)
    Dušek, Michal (FZU-D) RID, ORCID, SAI
    Erben, M.F. (AR)
    Della Védova, C.O. (AR)
    Source TitleActa Crystallographica Section B-Structural Science - ISSN 0108-7681
    Roč. 65, Part 4 (2009), 502-508
    Number of pages7 s.
    Languageeng - English
    CountryDK - Denmark
    Keywordsphosphoric triamide ; hydrogen bonding ; disorder
    Subject RIVBM - Solid Matter Physics ; Magnetism
    R&D ProjectsGA202/06/0757 GA ČR - Czech Science Foundation (CSF)
    CEZAV0Z10100521 - FZU-D (2005-2011)
    UT WOS000268019100012
    DOI10.1107/S0108768109020023
    AnnotationThe new compound N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide was synthesized by reacting 3-nitrobenzoyl phosphoramidic dichloride and tert-butyl amine, and characterized by multinuclear (1H, 13C and 31P) NMR and FTIR spectroscopy techniques. Structural and conformational properties were analyzed using single-crystal X-ray diffraction, vibrational spectra and theoretical calculations. The crystal structure contains three symmetry-independent disordered molecules, connected via intermolecular N-HO=P and N-HO=C hydrogen bonds to form a centrosymmetric hexameric chain extended along the [2,1,] direction. The disorder is mainly caused by rotation of the tert-butyl groups around the C-N bonds.
    WorkplaceInstitute of Physics
    ContactKristina Potocká, potocka@fzu.cz, Tel.: 220 318 579
    Year of Publishing2010
Number of the records: 1  

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