Crystallography Open Database

Result : There are 1 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

Searching journal of publication like 'Journal of molecular modeling' volume of publication is 18

COD ID: 1549447
CIF file Formula: - C9 H11 N5 O S2 -
Comments: Illán-Cabeza, Nuria A; Peña-Ruiz, Tomás; Moreno-Carretero, Miguel N XRD and DFT-modelized structures of a pteridine-2,4(1H,3H)-dithione/N,N'-dimethylformamide H-bonded cluster (2:2). MO study of the coordination ability. Journal of molecular modeling 18(2) (2012) 815-824
Space group: C 1 2/c 1
Cell volume: 2367.3
Cell parameters: 26.673; 5.3966; 16.522; 90; 95.49; 90;  


Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.