Supramolecular assembly mediated through NH···OX (X = C, N, P) hydrogen bonds and Y···π (Y = Br, π) contacts: structural/computational studies of the P(O)(NHC(O)C6H4-3-NO2)(NHC6H4-3-Br)2 phosphoric triamide

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F25%3A00618673" target="_blank" >RIV/68378271:_____/25:00618673 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/j.molstruc.2024.140068" target="_blank" >https://doi.org/10.1016/j.molstruc.2024.140068</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molstruc.2024.140068" target="_blank" >10.1016/j.molstruc.2024.140068</a>

Result language
angličtina
Original language name
Supramolecular assembly mediated through NH···OX (X = C, N, P) hydrogen bonds and Y···π (Y = Br, π) contacts: structural/computational studies of the P(O)(NHC(O)C6H4-3-NO2)(NHC6H4-3-Br)2 phosphoric triamide
Original language description
Supramolecular assembly is studied in the structure of N,N'-bis(3-bromo-phenyl)-N''-(3-nitrobenzoyl) phosphoric triamide, P(O)(NHC(O)C6H4-3-NO2)(NHC6H4-3-Br)2 (I), by X-ray crystallography combined with quantum chemical calculations. The asymmetric unit of I is composed of two symmetry-independent molecules that show differences in some torsion angles, especially the ones related to the rotation of amine moieties.
Czech name
—
Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project
<a href="/en/project/LM2023051" target="_blank" >LM2023051: Research infrastructure CzechNanoLab</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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