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том 80
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издание 3
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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 публикации: Journal Article
Дата публикации: 2024-02-20
SCImago Q3
WOS Q4
БС3
SJR: 0.22
CiteScore: 1.2
Impact factor: 0.6
ISSN: 20569890
PubMed ID:
38456056
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}
}
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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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