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

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

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The 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. The 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. (en)
Title	Synthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide Synthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide (en)
skos:prefLabel	Synthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide Synthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide (en)
skos:notation	RIV/68378271:_____/09:00336343!RIV10-AV0-68378271
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA202/06/0757), Z(AV0Z10100521)
http://linked.open...iv/cisloPeriodika	Part 4
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Dušek, Michal Kovaľ, Tomáš
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Fyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	345088
http://linked.open...ai/riv/idVysledku	RIV/68378271:_____/09:00336343
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	phosphoric triamide; hydrogen bonding; disorder (en)
http://linked.open.../riv/klicoveSlovo	phosphoric triamide disorder hydrogen bonding
http://linked.open...odStatuVydavatele	DK - Dánské království
http://linked.open...ontrolniKodProRIV	[AAA94F24967A]
http://linked.open...i/riv/nazevZdroje	Acta Crystallographica section B - Structural Science
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Universal methods for solution of periodic and aperiodic structures in the recioprocal and direct space
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	65
http://linked.open...iv/tvurceVysledku	Dušek, Michal Kovaľ, Tomáš Della Védova, C. O. Erben, M. F. Gholivand, K. Mostaanzadeh, H.
http://linked.open...ain/vavai/riv/wos	000268019100012
http://linked.open...n/vavai/riv/zamer	Physics and technology of nanostructures, surfaces and thin films
issn	0108-7681
number of pages	7 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Synthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide Synthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide Synthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide Synthesis, crystal structure and spectroscopic properties of a novel carbacylamidophosphate: N-(3-nitrobenzoyl)-N',N''-bis(tert-butyl)phosphoric triamide

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