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International Union of Crystallography (IUCr)
Acta Crystallographica Section E: Crystallographic Communications
,  том 81 ,  издание 9 ,  страницы 857-860

Synthesis, crystal structure and Hirshfeld surface analysis of ethyl (E)-2-cyano-3-[5-(4-ethylphenyl)isoxazol-3-yl]prop-2-enoate

Тип публикации: Journal Article
Дата публикации: 2025-08-19
International Union of Crystallography (IUCr)
SCImago Q3
WOS Q4
БС3
SJR: 0.22
CiteScore: 1.2
Impact factor: 0.6
ISSN: 20569890
Краткое описание

In the molecule of the title compound, C17H16N2O3, the isoxazol and phenyl rings are oriented at a dihedral angle of 14.84 (5)°. The 2-cyanoacrylate moiety is in E- configuration. In the crystal, there are no intermolecular hydrogen-bonding or C—H...π(ring) interactions, only a π–π interaction between the parallel isoxazol rings with centroid-to-centroid distance of 3.4932 (9) Å (α = 0.02°). The Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...H (43.9%), H...N/N...H (17.0%), H...O/O...H (13.9%) and C...C (10.1%) interactions.

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Kolesnik I. A. et al. Synthesis, crystal structure and Hirshfeld surface analysis of ethyl (E)-2-cyano-3-[5-(4-ethylphenyl)isoxazol-3-yl]prop-2-enoate // Acta Crystallographica Section E: Crystallographic Communications. 2025. Vol. 81. No. 9. pp. 857-860.
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Kolesnik I. A., Sanchez-Pimentel A. P., Grigoriev M. S., Hökelek T., Hasanov K. I., Guliyeva N. A., Javadzade T. A., AL-DOUH M. H. Synthesis, crystal structure and Hirshfeld surface analysis of ethyl (E)-2-cyano-3-[5-(4-ethylphenyl)isoxazol-3-yl]prop-2-enoate // Acta Crystallographica Section E: Crystallographic Communications. 2025. Vol. 81. No. 9. pp. 857-860.
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TY - JOUR
DO - 10.1107/s2056989025006875
UR - https://journals.iucr.org/paper?S2056989025006875
TI - Synthesis, crystal structure and Hirshfeld surface analysis of ethyl (E)-2-cyano-3-[5-(4-ethylphenyl)isoxazol-3-yl]prop-2-enoate
T2 - Acta Crystallographica Section E: Crystallographic Communications
AU - Kolesnik, I A
AU - Sanchez-Pimentel, Artem P.
AU - Grigoriev, Mikhail S.
AU - Hökelek, Tuncer
AU - Hasanov, Khudayar I.
AU - Guliyeva, Narmina A.
AU - Javadzade, Tahir A.
AU - AL-DOUH, MOHAMMED H.
PY - 2025
DA - 2025/08/19
PB - International Union of Crystallography (IUCr)
SP - 857-860
IS - 9
VL - 81
SN - 2056-9890
ER -
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@article{2025_Kolesnik,
author = {I A Kolesnik and Artem P. Sanchez-Pimentel and Mikhail S. Grigoriev and Tuncer Hökelek and Khudayar I. Hasanov and Narmina A. Guliyeva and Tahir A. Javadzade and MOHAMMED H. AL-DOUH},
title = {Synthesis, crystal structure and Hirshfeld surface analysis of ethyl (E)-2-cyano-3-[5-(4-ethylphenyl)isoxazol-3-yl]prop-2-enoate},
journal = {Acta Crystallographica Section E: Crystallographic Communications},
year = {2025},
volume = {81},
publisher = {International Union of Crystallography (IUCr)},
month = {aug},
url = {https://journals.iucr.org/paper?S2056989025006875},
number = {9},
pages = {857--860},
doi = {10.1107/s2056989025006875}
}
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Kolesnik, I. A., et al. “Synthesis, crystal structure and Hirshfeld surface analysis of ethyl (E)-2-cyano-3-[5-(4-ethylphenyl)isoxazol-3-yl]prop-2-enoate.” Acta Crystallographica Section E: Crystallographic Communications, vol. 81, no. 9, Aug. 2025, pp. 857-860. https://journals.iucr.org/paper?S2056989025006875.
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