In the molecule of the title compound, C 14 H 15 N 3 OS 3 , the pyrrolidine ring has a slightly distorted envelope conformation. The dihydropyrimidine and benzene rings are coplanar, making a dihedral angle of 0.05 (3) . In the crystal structure, intra-and intermolecular C-HÁ Á ÁS, C-HÁ Á ÁO and C-H
(4-Oxo-3,4-dihydroquinazolin-3-yl)methyl piperidine-1-carbodithioate
✍ Scribed by She, Neng-Fang ;Huang, Wei
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 916 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
In the title compound, C 15 H 17 N 3 OS 2 , the piperidine ring adopts a chair conformation. Weak intermolecular C-HÁ Á ÁO hydrogen bonds link the molecules into chains along the c axis and further stability is provided by offsetstacking interactions [centroid separations = 3.73 (2)-3.78 (2) A ˚] involving the aromatic rings.
📜 SIMILAR VOLUMES
The crystal structure of the title compound, C~14~H~17~NO~2~, is stabilized by three intermolecular C—H...O hydrogen bonds and one π–π interaction. C—H...O hydrogen bonds generate an edge-fused [__R__ ~3~ ^3^(13)__R__ ~4~ ^2^(14)__R__ ~3~ ^3^(13)] ring motif.
In the title compound, C~16~H~21~N~3~OS~2~, the dihedral angle between the aromatic rings is 3.60 (3)°. An intermolecular C—H...O hydrogen bond links the molecules into chains along the __c__ axis.
## Abstract The cyclization of phenacyl anthranilate has been studied with the aim to develop the synthesis of 2‐(2′‐aminophenyl)‐4‐phenyloxazole. However, a different course of the reaction than expected was observed. 2‐Phenyl‐2‐hydroxymethyl‐4‐oxo‐1,2,3,4‐tetrahydroquinazoline (**3a**) was formed
Single-crystal X-ray study T = 90 K Mean '(C±C) = 0.004 A Ê R factor = 0.044 wR factor = 0.098 Data-to-parameter ratio = 13.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.