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RISAnalysis of P–O–C, P–S–C and P–O–P angles: a database survey completed with four new X-ray crystal structures
compound (I) and thiophosphoryl compounds (II) and (III) and their analogous structures deposited in the Cambridge Structural Database (CSD), including 282 P(O)(O)2(N) structures (706 P–O–C angles) and 186 P(S)(O)2(N) structures (518 P–O–C angles...
Analysis of S—P—N and N—P—N angles in phosphorothioic triamides
The S—P—N and N—P—N bond angles have been analyzed in 30 phosphorothioic triamides structures (having a P(S)[N]3 skeleton) deposited in the Cambridge Structural Database (CSD, version 5.34, May 2013 update) and a new structure reported...
Phosphoramides and thiophosphoramides: some different structural aspects investigated based on the structures deposited in the Cambridge Structural Database (CSD) completed with new diffraction studies
), considering the diffraction experiments of some
derivatives and analysis of the structures deposited in the Cambridge Structural Database (CSD).
The main topics investigated are related to “the geometries of molecules” and “the aggregations...
Differences in the geometries of compounds with [O]nP(O)[N]3–n, [O]nP(S)[N]3–n and [C]mP(O)[N]3–m (n = 0, 1, 2, 3; m = 1, 2, 3) segments: A Cambridge Structural Database analysis completed with fourteen new structures
Recently, we reported on the analysis of hydrogen bond pattern in different families of phosphorous(V) compounds, considering the structure determination of some derivatives and the study of analogous structures deposited in the Cambridge Structural...
Database analysis of hydrogen bond patterns in phosphoric triamides completed with seven new compounds: a crystallographic and 15N NMR study
We present the synthesis and characterization of seven new phosphoric triamides followed by analysis of hydrogen bond patterns of the new compounds as well as the phosphoric triamides found in the Cambridge Structural Database (CSD). The analysis...
On the preferences of five-membered chelate rings in coordination chemistry: insights from the Cambridge Structural Database and theoretical calculations
being done in coordination chemistry using these ligands. Instead we present a full structural and geometrical study by using the Cambridge Structural Database -CSD- combined with theoretical calculations that allow us to parameterize their coordinating...
Conformational flexibility in amidophosphoesters: a CSD analysis completed with two new crystal structures of (C6H5O)2P(O)X [X = NHC7H13 and N(CH2C6H5)2]
structure is mediated by C—H…π interactions. The conformational behaviour of the phenyl rings in (I), (II) and analogous structures from the Cambridge Structural Database (CSD) were studied in terms of flexibility, volume of the other group attached...
A database analysis of P—O—C bond angles in the structures with P(O)[O—C]2[N] and P(S)[O—C]2[N] segments: a comparison with P—S—C bond angles and completed with three new structures
In the previous published papers, some structural features of phosphoramides1,2 and thiophosphoramides3,4 were considered through diffraction study of some derivatives and also analysis of analogous structures deposited in the Cambridge Structural...
Extensive analysis of N—H…O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study
)P(O)(N)(O) and 96 (C)2P(O)(O) structures, deposited in the Cambridge Structural Database (CSD). For the structures with a (C)P(O)(N)2 segment, only neutral hydrogen bonds were found in the CSD. The other three classes of compounds included both neutral and ‘charge...
Supramolecular assembly of a 2D coordination polymer bearing pyridine-N-oxide-2,5-dicarboxylic acid and copper ion: X-ray crystallography and DFT calculations
also highlight some areas of current interest in their coordination behavior by surveying reported structures (Cambridge Structural Database (CSD))and have investigated the influence of the N-oxide moiety on the coordination mode(s) in the crystal...