Puckering behavior in six new phosphoric triamides containing
aliphatic six- and seven-membered ring groups and a database
survey I datesCheck for up of analogous ring-containing
structures

J 2018

Puckering behavior in six new phosphoric triamides containing aliphatic six- and seven-membered ring groups and a database survey I datesCheck for up of analogous ring-containing structures

ALVIRI, Banafsheh Vahdani; Mehrdad POURAYOUBI; Anahid SANEEI; Mojtaba KEIKHA; Arie VAN DER LEE et. al.

Základní údaje

Originální název

Puckering behavior in six new phosphoric triamides containing aliphatic six- and seven-membered ring groups and a database survey I datesCheck for up of analogous ring-containing structures

Autoři

ALVIRI, Banafsheh Vahdani; Mehrdad POURAYOUBI; Anahid SANEEI; Mojtaba KEIKHA; Arie VAN DER LEE; Aurelien CROCHET; Abdul AJEES; Marek NEČAS; Katharina M. FROMM; Krishnan DAMODARAN a Titus A. JENNY

Vydání

Tetrahedron, Oxford, ERGAMON-ELSEVIER SCIENCE LTD, 2018, 0040-4020

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10400 1.4 Chemical sciences

Stát vydavatele

Velká Británie a Severní Irsko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 2.379

Kód RIV

RIV/00216224:14310/18:00106569

Organizační jednotka

Přírodovědecká fakulta

DOI

https://doi.org/10.1016/j.tet.2017.11.030

UT WoS

000418728200005

EID Scopus

2-s2.0-85035207280

Klíčová slova anglicky

Puckering parameter; Six-member ring; Seven-member ring; Phosphoric triamide; Hydrogen bond pattern; Cambridge Structural Database

Štítky

CF SAXS, rivok

Příznaky

Mezinárodní význam, Recenzováno

Změněno: 23. 4. 2024 14:28, Mgr. Michal Petr

Anotace

V originále

The influence of a N heteroatom on the ring conformations of six- and seven-membered aliphatic rings in six new C(O)NHP(O)-based phosphoric triamide structures (analysed by X-ray crystallography) is investigated. Additionally the influence of steric and crystal packing effects is also studied by the analysis of Hirshfeld surfaces. The results are compared to analogous structures with three-to seven-aliphatic membered rings deposited in the Cambridge Structural Database. In the newly determined structures, the six-membered rings only show the near-chair conformation with a maximum deviation of the theta puckering parameter of 4.4 degrees from the ideal chair value of 0 degrees/180 degrees, while the seven-membered rings are found in different conformations such as near-chair, twist chair and twist sofa. (C) 2017 Elsevier Ltd. All rights reserved.

Návaznosti

MUNI/A/1467/2014, interní kód MU

Název: Pokročilé metody syntézy a komplexní studium vlastností molekulárních a nanostrukturních systémů (Akronym: Monasyst)

Investor: Masarykova univerzita, Pokročilé metody syntézy a komplexní studium vlastností molekulárních a nanostrukturních systémů, DO R. 2020_Kategorie A - Specifický výzkum - Studentské výzkumné projekty

Citovat

ALVIRI, Banafsheh Vahdani; Mehrdad POURAYOUBI; Anahid SANEEI; Mojtaba KEIKHA; Arie VAN DER LEE; Aurelien CROCHET; Abdul AJEES; Marek NEČAS; Katharina M. FROMM; Krishnan DAMODARAN a Titus A. JENNY. Puckering behavior in six new phosphoric triamides containing aliphatic six- and seven-membered ring groups and a database survey I datesCheck for up of analogous ring-containing structures. Tetrahedron. Oxford: ERGAMON-ELSEVIER SCIENCE LTD, 2018, roč. 74, č. 1, s. 28-41. ISSN 0040-4020. Dostupné z: https://doi.org/10.1016/j.tet.2017.11.030.

@article{1504936,
   author = {Alviri, Banafsheh Vahdani and Pourayoubi, Mehrdad and Saneei, Anahid and Keikha, Mojtaba and van der Lee, Arie and Crochet, Aurelien and Ajees, Abdul and Nečas, Marek and Fromm, Katharina M. and Damodaran, Krishnan and Jenny, Titus A.},
   article_location = {Oxford},
   article_number = {1},
   doi = {https://doi.org/10.1016/j.tet.2017.11.030},
   keywords = {Puckering parameter; Six-member ring; Seven-member ring; Phosphoric triamide; Hydrogen bond pattern; Cambridge Structural Database},
   language = {eng},
   issn = {0040-4020},
   journal = {Tetrahedron},
   title = {Puckering behavior in six new phosphoric triamides containing aliphatic six- and seven-membered ring groups and a database survey I datesCheck for up of analogous ring-containing structures},
   url = {http://dx.doi.org/10.1016/j.tet.2017.11.030},
   volume = {74},
   year = {2018}
}

TY  - JOUR
ID  - 1504936
AU  - Alviri, Banafsheh Vahdani - Pourayoubi, Mehrdad - Saneei, Anahid - Keikha, Mojtaba - van der Lee, Arie - Crochet, Aurelien - Ajees, Abdul - Nečas, Marek - Fromm, Katharina M. - Damodaran, Krishnan - Jenny, Titus A.
PY  - 2018
TI  - Puckering behavior in six new phosphoric triamides containing aliphatic six- and seven-membered ring groups and a database survey I datesCheck for up of analogous ring-containing structures
JF  - Tetrahedron
VL  - 74
IS  - 1
SP  - 28-41
EP  - 28-41
PB  - ERGAMON-ELSEVIER SCIENCE LTD
SN  - 00404020
KW  - Puckering parameter
KW  - Six-member ring
KW  - Seven-member ring
KW  - Phosphoric triamide
KW  - Hydrogen bond pattern
KW  - Cambridge Structural Database
UR  - http://dx.doi.org/10.1016/j.tet.2017.11.030
N2  - The influence of a N heteroatom on the ring conformations of six- and seven-membered aliphatic rings in six new C(O)NHP(O)-based phosphoric triamide structures (analysed by X-ray crystallography) is investigated. Additionally the influence of steric and crystal packing effects is also studied by the analysis of Hirshfeld surfaces. The results are compared to analogous structures with three-to seven-aliphatic membered rings deposited in the Cambridge Structural Database. In the newly determined structures, the six-membered rings only show the near-chair conformation with a maximum deviation of the theta puckering parameter of 4.4 degrees from the ideal chair value of 0 degrees/180 degrees, while the seven-membered rings are found in different conformations such as near-chair, twist chair and twist sofa. (C) 2017 Elsevier Ltd. All rights reserved.
ER  -

ALVIRI, Banafsheh Vahdani; Mehrdad POURAYOUBI; Anahid SANEEI; Mojtaba KEIKHA; Arie VAN DER LEE; Aurelien CROCHET; Abdul AJEES; Marek NEČAS; Katharina M. FROMM; Krishnan DAMODARAN a Titus A. JENNY. Puckering behavior in six new phosphoric triamides containing aliphatic six- and seven-membered ring groups and a database survey I datesCheck for up of analogous ring-containing structures. \textit{Tetrahedron}. Oxford: ERGAMON-ELSEVIER SCIENCE LTD, 2018, roč.~74, č.~1, s.~28-41. ISSN~0040-4020. Dostupné z: https://doi.org/10.1016/j.tet.2017.11.030.

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