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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| Format: | Article |
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De Gruyter Open
2022
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| Online Access: | http://eprints.sunway.edu.my/2113/ |
| _version_ | 1848802201707741184 |
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| 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. |
| building | SU Institutional Repository |
| collection | Online Access |
| 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. |
| first_indexed | 2025-11-14T21:19:35Z |
| format | Article |
| id | sunway-2113 |
| institution | Sunway University |
| institution_category | Local University |
| last_indexed | 2025-11-14T21:19:35Z |
| publishDate | 2022 |
| publisher | De Gruyter Open |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-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 |
| spellingShingle | 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 |
| title | 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_short | 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 |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/2113/ http://eprints.sunway.edu.my/2113/ http://eprints.sunway.edu.my/2113/ |