English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Two new phosphoric triamides having a common part  X P(O)[NHCH(CH 3 ) 2 ] 2 , with  X  =[2,3,6-F 3 –C 6 H 2 C(O)NH] ( 1)  and [C 6 H 11 (CH 3 )N] ( 2 ), were prepared and characterized by spectroscopic techniques (FT-IR and  1 H-,  13 C-,  31 P-NMR) and single crystal X-ray diffraction. The asymmetric unit of  1  is composed of one molecule, whereas for  2  it consists of six symmetry independent molecules. In all molecules, the P atoms are in a distorted tetrahedral environment of one oxygen and three nitrogen atoms. The latter have mainly  sp  2  character and a nearly planar environment. The crystal structures are stabilized  via  N–H · · · O hydrogen bond interactions, forming a linear arrangement for  1  and three independent parallel linear chains for  2 , along the  b  and  a  axis, respectively. The intermolecular interactions in the molecular packing were analyzed using the Hirshfeld surface methodology, two-dimensional (2D) fingerprint plots and enrichment ratios ( E ). The prevalent interactions revealed by Hirshfeld surfaces are O · · · H type interactions for both structures  1  and  2 , additionally C · · · O for  1  and H · · · H interactions for  2 . The most favored contacts responsible for the molecular packing are C · · · F, N · · · H and O · · · H for  1  confirmed by  E  values greater than 1.30, whereas for  2 , O · · · H and N · · · H intermolecular interactions with  E  values about 1.04 representing the favored contacts. Thus, the N–H · · · O hydrogen bond interactions are the dominant interactions in both compounds. For more details, a topological AIM analysis of N–H · · · O hydrogen bond interactions was performed: N CP –H · · · O=C hydrogen bond (the N CP  is referred to the nitrogen atom within the C(O)NHP(O) segment) interactions in  1  are stronger than N–H · · · O=P interactions in both  1  and  2 . Furthermore, a 3D topology of the molecular packing  via  the energy framework approach showed that the N–H · · · O hydrogen bond interactions in C(O)NHP(O)-based phosphoric triamide are predominantly electrostatic based, while they are electrostatic-dispersion based for other phosphoric triamides with a [N]P(O)[NH] 2  skeleton.

zeitschrift für kristallographie - crystalline materials 

Evaluation of N–H···O hydrogen bond interactions in two new phosphoric triamides with a P(O)[NHCH(CH 3 ) 2 ] 2  segment by means of topological (AIM) calculations, Hirshfeld surface analysis and 3D energy framework approach