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El-Emam, Ali A; Al-Wahaibi, Lamya H; Blacque, Olivier; 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):811-814.
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.
| Item Type: | Journal Article, not_refereed, original work |
|---|---|
| Communities & Collections: | 07 Faculty of Science > Department of Chemistry |
| Dewey Decimal Classification: | 540 Chemistry |
| Scopus Subject Areas: | Physical Sciences > General Materials Science
Physical Sciences > Condensed Matter Physics Physical Sciences > Inorganic Chemistry |
| Uncontrolled Keywords: | Inorganic Chemistry, Condensed Matter Physics, General Materials Science |
| Language: | English |
| Date: | 26 October 2022 |
| Deposited On: | 09 Nov 2022 13:51 |
| Last Modified: | 26 Jun 2025 01:52 |
| Publisher: | De Gruyter |
| ISSN: | 2197-4578 |
| OA Status: | Gold |
| Free access at: | Publisher DOI. An embargo period may apply. |
| Publisher DOI: | https://doi.org/10.1515/ncrs-2022-0272 |
El-Emam, Ali A