Structural Chemistry, volume 28, issue 4, pages 1211-1221
Comparable study of the structure of 1,2-bis(2-acetamidoethyl) diaziridine and 3,3-diethyldiaziridine with structures of related compounds by X-ray diffraction analysis and quantum chemical calculations
Publication type: Journal Article
Publication date: 2017-02-20
Journal:
Structural Chemistry
Quartile SCImago
Q3
Quartile WOS
Q3
Impact factor: 1.7
ISSN: 10400400, 15729001
Physical and Theoretical Chemistry
Condensed Matter Physics
Abstract
The crystal structures of 1,2-bis(2-acetamidoethyl)diaziridine and 3,3-diethyldiaziridine have been determined by single-crystal X-ray diffraction study. The studied diaziridine molecules have C2 total group symmetry. The conformation of the studied molecules is similar to those of other diaziridines. A topological study within the framework of Bader’s atoms in molecule (AIM) theory was performed for these molecules, their analogs and related compounds. From AIM and natural bond orbital (NBO) analysis data, an influence of the intramolecular interaction on chemical bonds was described and quantified. It was found that the N-N bond length increases on going from acyclic to cyclic molecules in accordance with increasing p-character of σN-N bonding orbitals. The lengthening of N-N bond lengths in diaziridine molecules in most cases is accompanied with increasing of the bond ellipticities demonstrating the π-component contribution to these bonds.
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Kuznetsov V. V. et al. Comparable study of the structure of 1,2-bis(2-acetamidoethyl) diaziridine and 3,3-diethyldiaziridine with structures of related compounds by X-ray diffraction analysis and quantum chemical calculations // Structural Chemistry. 2017. Vol. 28. No. 4. pp. 1211-1221.
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Kuznetsov V. V., Marochkin I. I., Goloveshkin A. S., Makhova N. N., Shishkov I. F. Comparable study of the structure of 1,2-bis(2-acetamidoethyl) diaziridine and 3,3-diethyldiaziridine with structures of related compounds by X-ray diffraction analysis and quantum chemical calculations // Structural Chemistry. 2017. Vol. 28. No. 4. pp. 1211-1221.
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TY - JOUR
DO - 10.1007/s11224-016-0908-5
UR - https://doi.org/10.1007%2Fs11224-016-0908-5
TI - Comparable study of the structure of 1,2-bis(2-acetamidoethyl) diaziridine and 3,3-diethyldiaziridine with structures of related compounds by X-ray diffraction analysis and quantum chemical calculations
T2 - Structural Chemistry
AU - Kuznetsov, Vladimir V.
AU - Goloveshkin, Alexander S.
AU - Makhova, Nina N
AU - Marochkin, Ilya I
AU - Shishkov, Igor F
PY - 2017
DA - 2017/02/20 00:00:00
PB - Springer Nature
SP - 1211-1221
IS - 4
VL - 28
SN - 1040-0400
SN - 1572-9001
ER -
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@article{2017_Kuznetsov,
author = {Vladimir V. Kuznetsov and Alexander S. Goloveshkin and Nina N Makhova and Ilya I Marochkin and Igor F Shishkov},
title = {Comparable study of the structure of 1,2-bis(2-acetamidoethyl) diaziridine and 3,3-diethyldiaziridine with structures of related compounds by X-ray diffraction analysis and quantum chemical calculations},
journal = {Structural Chemistry},
year = {2017},
volume = {28},
publisher = {Springer Nature},
month = {feb},
url = {https://doi.org/10.1007%2Fs11224-016-0908-5},
number = {4},
pages = {1211--1221},
doi = {10.1007/s11224-016-0908-5}
}
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MLA
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Kuznetsov, Vladimir V., et al. “Comparable study of the structure of 1,2-bis(2-acetamidoethyl) diaziridine and 3,3-diethyldiaziridine with structures of related compounds by X-ray diffraction analysis and quantum chemical calculations.” Structural Chemistry, vol. 28, no. 4, Feb. 2017, pp. 1211-1221. https://doi.org/10.1007%2Fs11224-016-0908-5.
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