Počet záznamů: 1
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)C.sub.6./sub.H.sub.4./sub.-3-NO.sub.2./sub.)(NHC.sub.6./sub.H.sub.4./sub.-3-Br).sub.2./sub. phosphoric triamide
- 1.0618673 - FZÚ 2026 RIV NL eng J - Článek v odborném periodiku
Khorramaki, M. - Pourayoubi, M. - Yazdan-Abad, V.R. - Darugar, V. - Vakili, M. - Eigner, Václav - Dušek, Michal
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.
Journal of Molecular Structure. Roč. 1321, Feb (2025), č. článku 140068. ISSN 0022-2860. E-ISSN 1872-8014
Grant CEP: GA MŠMT LM2023051
Institucionální podpora: RVO:68378271
Klíčová slova: phosphoric triamide * noncovalent interaction * Hirshfeld surface analysis * DFT * NBO
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 4, rok: 2023 ; AIS: 0.385, rok: 2023
DOI: https://doi.org/10.1016/j.molstruc.2024.140068
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.
Trvalý link: https://hdl.handle.net/11104/0365519
Počet záznamů: 1