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Ethoxy­carbonyl­methyl 3-(2-chloro­benzyl­idene)dithio­carbazate

✍ Scribed by Tabatabaee, Masoumeh ;Ghassemzadeh, Mitra ;Dehghan, Ali Reza ;Khavasi, Hamid Reza ;Heravi, Majid M.

Book ID
104489012
Publisher
International Union of Crystallography
Year
2006
Tongue
English
Weight
103 KB
Volume
63
Category
Article
ISSN
1600-5368

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📜 SIMILAR VOLUMES

1-[2,6-Di­chloro-4-(tri­fluoro­methyl)­p
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Single-crystal X-ray study T = 298 K Mean (C±C) = 0.005 A Ê Disorder in main residue R factor = 0.072 wR factor = 0.215 Data-to-parameter ratio = 13.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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The title compound, C 20 H 14 Cl 2 F 3 N 5 , is a tricyclic amide with an overall U-shape, each of the the three rings being planar. There areinteractions between the pyrazole ring and the benzene ring with the dimethylamine substituent.

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In the title compound, C 23 H 19 ClN 2 O 3 S, the central pyrimidine ring is significantly puckered, assuming an intermediate conformation between an envelope and a screw-boat form. Short intermolecular C-HÁ Á ÁO, C-HÁ Á Á andstacking interactions contribute to the stability of the crystal packing.

1-Acetyl-4-(p-chloro­benzyl­idene­amino)
1-Acetyl-4-(p-chloro­benzyl­idene­amino)-3-methyl-4,5-di­hydro-1H-1,2,4-triazol-5-one
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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.041 wR factor = 0.121 Data-to-parameter ratio = 14.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.