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Gholivand, Khodayar, Mostaanzadeh, Hossein, Koval, Tomas, Dusek, Michal, Erben, Mauricio F., Stoeckli-Evans, Helen, Della Védova, Carlos O. (2010) Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes ofN-(4-nitrobenzoyl)-N′,N′′-bis(morpholino)phosphoric triamide. Acta Crystallographica Section B Structural Science, 66 (4) 441-450 doi:10.1107/s0108768110018550

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Reference TypeJournal (article/letter/editorial)
TitleSyntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes ofN-(4-nitrobenzoyl)-N′,N′′-bis(morpholino)phosphoric triamide
JournalActa Crystallographica Section B Structural Science
AuthorsGholivand, KhodayarAuthor
Mostaanzadeh, HosseinAuthor
Koval, TomasAuthor
Dusek, MichalAuthor
Erben, Mauricio F.Author
Stoeckli-Evans, HelenAuthor
Della Védova, Carlos O.Author
Year2010 (August 1)Volume66
Issue4
PublisherInternational Union of Crystallography (IUCr)
DOIdoi:10.1107/s0108768110018550Search in ResearchGate
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Mindat Ref. ID187487Long-form Identifiermindat:1:5:187487:1
GUID0
Full ReferenceGholivand, Khodayar, Mostaanzadeh, Hossein, Koval, Tomas, Dusek, Michal, Erben, Mauricio F., Stoeckli-Evans, Helen, Della Védova, Carlos O. (2010) Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes ofN-(4-nitrobenzoyl)-N′,N′′-bis(morpholino)phosphoric triamide. Acta Crystallographica Section B Structural Science, 66 (4) 441-450 doi:10.1107/s0108768110018550
Plain TextGholivand, Khodayar, Mostaanzadeh, Hossein, Koval, Tomas, Dusek, Michal, Erben, Mauricio F., Stoeckli-Evans, Helen, Della Védova, Carlos O. (2010) Syntheses, spectroscopic study and X-ray crystallography of some new phosphoramidates and lanthanide(III) complexes ofN-(4-nitrobenzoyl)-N′,N′′-bis(morpholino)phosphoric triamide. Acta Crystallographica Section B Structural Science, 66 (4) 441-450 doi:10.1107/s0108768110018550
In(2010, August) Acta Crystallographica Section B Structural Science Vol. 66 (4) International Union of Crystallography (IUCr)
Abstract/NotesNew phosphoramidates with the formulaRC(O)N(H)P(O)X2,R= 2-NO2—C6H4, 3-NO2—C6H4and 4-NO2—C6H4,X= N(CH2CH3) (1)–(3), NC4H8(4)–(6), and NC4H8O (7)–(9) were synthesized and characterized by1H,13C,31P NMR and IR spectroscopy, and elemental analysis. The reaction of (9) with hydrated lanthanide(III) nitrate leads to ten- or nine-coordinated complexes, (10)–(13). The crystal structure has been determined for (3), (5), (9), (10) and (13). In contrast to all of the previously reported similar phosphoramidate compounds, the —C(O)—N(H)—P(O) skeleton in the free ligand (9) shows acisoidconformation, with the C=O and P=O double bonds adopting a nearlysynconformation. Quantum chemical calculations were applied for clarifying this exceptional conformational behavior. The monodentate neutral ligand (9) is coordinated to the metal ionsviathe phosphoryl O atom, adopting the usualanticonformation between the C=O and P=O groups.


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