Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S
C14H12N4O3S, monoclinic, P21/n (no. 14), a = 12.2777(3) Å, b = 9.4312(2) Å, c = 12.9412(2) Å, β = 107.945(2)°, V = 1425.61(5) Å3, Z = 4, R gt (F) = 0.0305, wR ref (F 2) = 0.0837, T = 160 K. CCDC no.: 2059188 The molecular structure is shown in the figure. Table 1 contains crystallographic data a...
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my.sunway.eprints.21132022-09-08T02:43:20Z http://eprints.sunway.edu.my/2113/ Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S El-Emam, Ali A. Al-Whaibi, Lamya H. Blacque, Olivier Tiekink, Edward R. T. * QD Chemistry C14H12N4O3S, monoclinic, P21/n (no. 14), a = 12.2777(3) Å, b = 9.4312(2) Å, c = 12.9412(2) Å, β = 107.945(2)°, V = 1425.61(5) Å3, Z = 4, R gt (F) = 0.0305, wR ref (F 2) = 0.0837, T = 160 K. CCDC no.: 2059188 The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. De Gruyter Open 2022-07-05 Article PeerReviewed El-Emam, Ali A. and Al-Whaibi, Lamya H. and Blacque, Olivier and Tiekink, Edward R. T. * (2022) Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S. Zeitschrift für Kristallographie - New Crystal Structures, 237 (5). pp. 811-814. ISSN 2197-4578 https://doi.org/10.1515/ncrs-2022-0272 10.1515/ncrs-2022-0272 |
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QD Chemistry El-Emam, Ali A. Al-Whaibi, Lamya H. Blacque, Olivier Tiekink, Edward R. T. * Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S |
| description |
C14H12N4O3S, monoclinic, P21/n (no. 14), a = 12.2777(3) Å, b = 9.4312(2) Å, c = 12.9412(2) Å, β = 107.945(2)°, V = 1425.61(5) Å3, Z = 4, R gt (F) = 0.0305, wR ref (F 2) = 0.0837, T = 160 K.
CCDC no.: 2059188
The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters. |
| format |
Article |
| author |
El-Emam, Ali A. Al-Whaibi, Lamya H. Blacque, Olivier Tiekink, Edward R. T. * |
| author_facet |
El-Emam, Ali A. Al-Whaibi, Lamya H. Blacque, Olivier Tiekink, Edward R. T. * |
| author_sort |
El-Emam, Ali A. |
| title |
Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S |
| title_short |
Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S |
| title_full |
Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S |
| title_fullStr |
Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S |
| title_full_unstemmed |
Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S |
| title_sort |
crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, c14h12n4o3s |
| publisher |
De Gruyter Open |
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2022 |
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http://eprints.sunway.edu.my/2113/ https://doi.org/10.1515/ncrs-2022-0272 |
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