C=O center dot center dot center dot pi Interaction: A Rare Noncovalent Binding in RC(O)NHP(O)[(NRR2)-R-1](2) Phosphoric Triamide Structures

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F15%3A00086934" target="_blank" >RIV/00216224:14310/15:00086934 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1080/10426507.2014.991826" target="_blank" >http://dx.doi.org/10.1080/10426507.2014.991826</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1080/10426507.2014.991826" target="_blank" >10.1080/10426507.2014.991826</a>

Result language
angličtina
Original language name
C=O center dot center dot center dot pi Interaction: A Rare Noncovalent Binding in RC(O)NHP(O)[(NRR2)-R-1](2) Phosphoric Triamide Structures
Original language description
In the structure of C6F5C(O)NHP(O)[N(C2H5)(C6H11)](2), in addition to N-H center dot center dot center dot O=P hydrogen bond, the oxygen atom of P=O group is involved in the P=O center dot center dot center dot pi interaction (O-P center dot center dot center dot Cg = 3.507(1) angstrom, Cg is the centroid of C6F5 ring). Moreover, a noncovalent C=O center dot center dot center dot pi interaction takes part in the crystal packing, O-C center dot center dot center dot Cg = 3.159(1) angstrom. The C=O centerdot center dot center dot pi interaction is the interesting feature of this structure, as a Cambridge Structural Database analysis (CSD; Allen, Acta Cryst. 2002, B58, 380-388) of 149 structures with a C(O)NHP(O)[N](2) skeleton shows that such an interaction exists only in 4 structures. The dihedral angle between the aromatic ring and the plane defined by the atoms of [C][N]C=O segment is 66.66 degrees. The C=O bond length in the present structure (of 1.
Czech name
—
Czech description
—

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CA - Inorganic chemistry
OECD FORD branch
—

Project
—
Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Similar results(10)