Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S

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

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Official URL: https://doi.org/10.1515/ncrs-2022-0272

Abstract

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: Article
Subjects: Q Science > QD Chemistry
Divisions: Others > Non Sunway Academics
Sunway University > School of Medical and Life Sciences [formerly School of Healthcare and Medical Sciences until 2020] > Sunway Biofunctional Molecules Discovery Centre [formerly Research Centre for Crystalline Materials until 2023]
Depositing User: Ms Yong Yee Chan
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Date Deposited: 08 Sep 2022 02:43
Last Modified: 08 Sep 2022 02:43
URI: http://eprints.sunway.edu.my/id/eprint/2113

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