6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine- 2,4(1H,3H)-dione
In the title pyrimidine-2,4-dione derivative, C14H16N2O2S, the dihedral angle between the six-membered rings is 77.81 (10)°. The molecule is twisted about the Cp—S (p = pyrimidine) bond, with a C—S—C—N torsion angle of -59.01 (17)°. An intramolecular C—H...S hydrogen bond generates an S(5) ring moti...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014
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| Subjects: | |
| Online Access: | http://eprints.usm.my/37968/1/6-%5B%282-Methylphenyl%29sulfanyl%5D-5-propyl.pdf |
| _version_ | 1825833761917370368 |
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| author | G. Haress, Nadia A. Ghabbour, Hazem A. El-Emam, Ali Chidan Kumar, C. S. Hoong, Kun Fun |
| author_facet | G. Haress, Nadia A. Ghabbour, Hazem A. El-Emam, Ali Chidan Kumar, C. S. Hoong, Kun Fun |
| author_sort | G. Haress, Nadia |
| collection | USM |
| description | In the title pyrimidine-2,4-dione derivative, C14H16N2O2S, the dihedral angle between the six-membered rings is 77.81 (10)°. The molecule is twisted about the Cp—S (p = pyrimidine) bond, with a C—S—C—N torsion angle of -59.01 (17)°. An intramolecular C—H...S hydrogen bond generates an S(5) ring motif. In the crystal, bifurcated acceptor N—H...O and C—H...O hydrogen bonds generate inversion-related dimers incorporating R2 1(9) and R2/2(8) loops. These dimers are connected into a chain extending along the a-axis direction by a second pair of inversion-related N—H...O hydrogen bonds, forming another R2/2(8) loop. The crystal structure is further stabilized by weak intermolecular C—H...n interactions, generating a three-dimensional network. |
| first_indexed | 2024-03-06T15:12:38Z |
| format | Article |
| id | usm.eprints-37968 |
| institution | Universiti Sains Malaysia |
| language | English |
| last_indexed | 2024-03-06T15:12:38Z |
| publishDate | 2014 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | usm.eprints-379682017-12-19T06:42:01Z http://eprints.usm.my/37968/ 6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine- 2,4(1H,3H)-dione G. Haress, Nadia A. Ghabbour, Hazem A. El-Emam, Ali Chidan Kumar, C. S. Hoong, Kun Fun QC1-999 Physics In the title pyrimidine-2,4-dione derivative, C14H16N2O2S, the dihedral angle between the six-membered rings is 77.81 (10)°. The molecule is twisted about the Cp—S (p = pyrimidine) bond, with a C—S—C—N torsion angle of -59.01 (17)°. An intramolecular C—H...S hydrogen bond generates an S(5) ring motif. In the crystal, bifurcated acceptor N—H...O and C—H...O hydrogen bonds generate inversion-related dimers incorporating R2 1(9) and R2/2(8) loops. These dimers are connected into a chain extending along the a-axis direction by a second pair of inversion-related N—H...O hydrogen bonds, forming another R2/2(8) loop. The crystal structure is further stabilized by weak intermolecular C—H...n interactions, generating a three-dimensional network. International Union of Crystallography 2014 Article PeerReviewed application/pdf en http://eprints.usm.my/37968/1/6-%5B%282-Methylphenyl%29sulfanyl%5D-5-propyl.pdf G. Haress, Nadia and A. Ghabbour, Hazem and A. El-Emam, Ali and Chidan Kumar, C. S. and Hoong, Kun Fun (2014) 6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine- 2,4(1H,3H)-dione. Acta Crystallographica Section E, 2014 (70). 0768-0776. ISSN 1600-5368 https://doi.org/10.1107/S1600536814013269 |
| spellingShingle | QC1-999 Physics G. Haress, Nadia A. Ghabbour, Hazem A. El-Emam, Ali Chidan Kumar, C. S. Hoong, Kun Fun 6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine- 2,4(1H,3H)-dione |
| title | 6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-
2,4(1H,3H)-dione |
| title_full | 6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-
2,4(1H,3H)-dione |
| title_fullStr | 6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-
2,4(1H,3H)-dione |
| title_full_unstemmed | 6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-
2,4(1H,3H)-dione |
| title_short | 6-[(2-Methylphenyl)sulfanyl]-5-propylpyrimidine-
2,4(1H,3H)-dione |
| title_sort | 6 2 methylphenyl sulfanyl 5 propylpyrimidine 2 4 1h 3h dione |
| topic | QC1-999 Physics |
| url | http://eprints.usm.my/37968/1/6-%5B%282-Methylphenyl%29sulfanyl%5D-5-propyl.pdf |
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