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4,4,6-Tri­methyl-1-phenyl-3,4-di­hydro­pyrimidine-2(1H)-thione

✍ Scribed by Yamin, Bohari M. ;Kasim, Noor Azilah M. ;Hamzah, Noraini


Publisher
International Union of Crystallography
Year
2004
Tongue
English
Weight
278 KB
Volume
61
Category
Article
ISSN
1600-5368

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✦ Synopsis


The reaction of cinnamoyl isothiocyanate and aniline gave a the title cyclized thiourea, C 13 H 16 N 2 S. There are two molecules in the asymmetric unit. The pyrimidine-2-thione moiety in each molecule is almost perpendicular to the phenyl group. The molecules are linked by two intermolecular NÐHÁ Á ÁS hydrogen bonds to form a dimer.


📜 SIMILAR VOLUMES


3-(2-Hydro­xy­phenyl)-4-phenyl-1H-1,2,4-
✍ Genç, Sadık ;Dege, Necmi ;Çetin, Ahmet ;Cansız, Ahmet ;Şekerci, Memet ;Dinçer, M 📂 Article 📅 2004 🏛 International Union of Crystallography 🌐 English ⚖ 319 KB

The title molecule, C 14 H 11 N 3 OS, is non-planar. The phenyl and hydroxyphenyl rings form dihedral angles of 69.08 (9) and 24.57 (9) , respectively, with the ®ve-membered 2,4-dihydro-1,2,4-triazole ring. The molecules form centrosymmetric dimers through NÐHÁ Á ÁS hydrogen bonds, with an NÁ Á ÁS d

1-Hydro­xy­methyl-2,2-di­phenyl­ethyl 2,
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The title compound, C 25 H 26 O 2 , was isolated and characterized as a stable intermediate in the conversion of 2,2-diphenylethyl 2,4,6-trimethylphenyl ketone to its formaldehyde-derived enone.

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê Disorder in main residue R factor = 0.050 wR factor = 0.121 Data-to-parameter ratio = 12.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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✍ Akkurt, Mehmet ;Öztürk, Sema ;Servi, Süleyman ;Cansız, Ahmet ;Şekerci, Memet ;Ka 📂 Article 📅 2004 🏛 International Union of Crystallography 🌐 English ⚖ 190 KB

Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.003 A Ê R factor = 0.039 wR factor = 0.096 Data-to-parameter ratio = 17.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.