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.

Basic information

Original name

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

Authors

ALVIRI, Banafsheh Vahdani (364 Islamic Republic of Iran), Mehrdad POURAYOUBI (364 Islamic Republic of Iran), Anahid SANEEI (364 Islamic Republic of Iran), Mojtaba KEIKHA (364 Islamic Republic of Iran), Arie VAN DER LEE (250 France), Aurelien CROCHET (756 Switzerland), Abdul AJEES (356 India), Marek NEČAS (203 Czech Republic, guarantor, belonging to the institution), Katharina M. FROMM (756 Switzerland), Krishnan DAMODARAN (840 United States of America) and Titus A. JENNY

Edition

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

Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10400 1.4 Chemical sciences

Country of publisher

United Kingdom of Great Britain and Northern Ireland

Confidentiality degree

není předmětem státního či obchodního tajemství

References:

URL

Impact factor

Impact factor: 2.379

RIV identification code

RIV/00216224:14310/18:00106569

Organization unit

Faculty of Science

DOI

http://dx.doi.org/10.1016/j.tet.2017.11.030

UT WoS

000418728200005

Keywords in English

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

Abstract

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.

Links

MUNI/A/1467/2014, interní kód MU

Name: Pokročilé metody syntézy a komplexní studium vlastností molekulárních a nanostrukturních systémů (Acronym: Monasyst)

Investor: Masaryk University, Category A

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 and 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, vol. 74, No 1, p. 28-41. ISSN 0040-4020. Available from: https://dx.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 = {http://dx.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 and 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, vol.~74, No~1, p.~28-41. ISSN~0040-4020. Available from: https://dx.doi.org/10.1016/j.tet.2017.11.030.

Detailed Information on Publication Record