Interplay Between Conformation and Hydrogen Bond Pattern: Crystal Structure of N-(2,2-dichloroacetyl)-N',N"-dipropylphosphoric Triamide and a Database Survey
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F24%3A00138833" target="_blank" >RIV/00216224:14310/24:00138833 - isvavai.cz</a>
Result on the web
<a href="https://link.springer.com/article/10.1007/s10870-024-01015-4" target="_blank" >https://link.springer.com/article/10.1007/s10870-024-01015-4</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1007/s10870-024-01015-4" target="_blank" >10.1007/s10870-024-01015-4</a>
Alternative languages
Result language
angličtina
Original language name
Interplay Between Conformation and Hydrogen Bond Pattern: Crystal Structure of N-(2,2-dichloroacetyl)-N',N"-dipropylphosphoric Triamide and a Database Survey
Original language description
The interplay between conformation and hydrogen bond pattern was studied in 211 (C(O)NH)(N)(2)P(O)-based phosphoric triamides retrieved from the Cambridge Structural Database (CSD) and one new molecular structure, (CHCl2C(O)NH)(CH3CH2CH2NH)(2)P(O). The O & boxH;C-N-P and C-N-P & boxH;O torsion angles were extracted for the conformational study of the C(O)NP(O) segment, and the conformations of +/- sp +/- ap, +/- sp +/- sc and +/- ap +/- sp were found (sp = synperiplanar, ap = antiperiplanar, sc = synclinal). The conformations of hydrogen bond donor group(s) with respect to the acceptor group(s) were also considered. The investigated structures belong to three classes of (RC(O)NH)((RRN)-R-1-N-2)(2)P(O) (R-1 and R-2 not equal H), (RC(O)NH)((RNH)-N-1)(2)P(O) (R-1 not equal H) and heterocyclic (RC(O)NH)P(O)[NR1](2)R-2 phosphoric triamides (R-1 = H or not equal H, R-2 = a hydrocarbon fragment), and the hydrogen bond patterns include dimer, tetramer, chain, tape, ladder, two-dimensional assembly and three-dimensional architecture. In the new structure, the conformation of the C(O)NP(O) fragment is -sp+ap, and molecules are assembled in a tape arrangement (parallel to the [110] axis) through N-CP-HO & boxH;P and N-P-HO & boxH;C hydrogen bonds (N-CP is the nitrogen atom of the C(O)NHP(O) fragment and N-P is the other N atom bonded to phosphorus).
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10402 - Inorganic and nuclear chemistry
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
ISSN
1074-1542
e-ISSN
1572-8854
Volume of the periodical
54
Issue of the periodical within the volume
3
Country of publishing house
US - UNITED STATES
Number of pages
11
Pages from-to
242-252
UT code for WoS article
001223829000001
EID of the result in the Scopus database
2-s2.0-85193279882