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том 80 издание 3 страницы 325-329

Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanylidene-5-(thiophen-2-yl)-3,4,7,8,9,10-hexahydro-2H-pyrido[1,6-a:2,3-d′]dipyrimidine-6-carbonitrile

Тип публикацииJournal Article
Дата публикации2024-02-20
SCImago Q3
WOS Q4
БС3
SJR0.22
CiteScore1.2
Impact factor0.6
ISSN20569890
General Chemistry
Condensed Matter Physics
General Materials Science
Краткое описание

In the title compound, C21H15N5OS2, molecular pairs are linked by N—H...N hydrogen bonds along the c-axis direction and C—H...S and C—H...O hydrogen bonds along the b-axis direction, with R 2 2(12) and R 2 2(16) motifs, respectively, thus forming layers parallel to the (10\overline{4}) plane. In addition, C=S...π and C[triple-bond]N...π interactions between the layers ensure crystal cohesion. The Hirshfeld surface analysis indicates that the major contributions to the crystal packing are H...H (43.0%), C...H/H...C (16.9%), N...H/H...N (11.3%) and S...H/H...S (10.9%) interactions.

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Naghiyev F. N. et al. Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanylidene-5-(thiophen-2-yl)-3,4,7,8,9,10-hexahydro-2H-pyrido[1,6-a:2,3-d′]dipyrimidine-6-carbonitrile // Acta Crystallographica Section E: Crystallographic Communications. 2024. Vol. 80. No. 3. pp. 325-329.
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Naghiyev F. N., Khrustalev V. N., Akkurt M., Mamedov H. M., Bhattarai A., Khalilov A. N., Mamedov İ. G. Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanylidene-5-(thiophen-2-yl)-3,4,7,8,9,10-hexahydro-2H-pyrido[1,6-a:2,3-d′]dipyrimidine-6-carbonitrile // Acta Crystallographica Section E: Crystallographic Communications. 2024. Vol. 80. No. 3. pp. 325-329.
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TY - JOUR
DO - 10.1107/s2056989024001658
UR - https://doi.org/10.1107/s2056989024001658
TI - Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanylidene-5-(thiophen-2-yl)-3,4,7,8,9,10-hexahydro-2H-pyrido[1,6-a:2,3-d′]dipyrimidine-6-carbonitrile
T2 - Acta Crystallographica Section E: Crystallographic Communications
AU - Naghiyev, Farid N.
AU - Khrustalev, Victor N.
AU - Akkurt, Mehmet
AU - Mamedov, Huseyn M.
AU - Bhattarai, Ajaya
AU - Khalilov, Ali N.
AU - Mamedov, İbrahim G.
PY - 2024
DA - 2024/02/20
PB - International Union of Crystallography (IUCr)
SP - 325-329
IS - 3
VL - 80
PMID - 38456056
SN - 2056-9890
ER -
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@article{2024_Naghiyev,
author = {Farid N. Naghiyev and Victor N. Khrustalev and Mehmet Akkurt and Huseyn M. Mamedov and Ajaya Bhattarai and Ali N. Khalilov and İbrahim G. Mamedov},
title = {Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanylidene-5-(thiophen-2-yl)-3,4,7,8,9,10-hexahydro-2H-pyrido[1,6-a:2,3-d′]dipyrimidine-6-carbonitrile},
journal = {Acta Crystallographica Section E: Crystallographic Communications},
year = {2024},
volume = {80},
publisher = {International Union of Crystallography (IUCr)},
month = {feb},
url = {https://doi.org/10.1107/s2056989024001658},
number = {3},
pages = {325--329},
doi = {10.1107/s2056989024001658}
}
MLA
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Naghiyev, Farid N., et al. “Crystal structure and Hirshfeld surface analysis of 4-oxo-3-phenyl-2-sulfanylidene-5-(thiophen-2-yl)-3,4,7,8,9,10-hexahydro-2H-pyrido[1,6-a:2,3-d′]dipyrimidine-6-carbonitrile.” Acta Crystallographica Section E: Crystallographic Communications, vol. 80, no. 3, Feb. 2024, pp. 325-329. https://doi.org/10.1107/s2056989024001658.
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