Crystallography Open Database

Information card for entry 1519159

1519158 << 1519159 >> 1519160

Preview

Coordinates	1519159.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Azathioprine
Chemical name	6-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-purine
Formula	C9 H7 N7 O2 S
Calculated formula	C9 H7 N7 O2 S
Title of publication	Crystal structure of 6-[(1-methyl-4-nitroimidazol-5-yl)thio] purine
Authors of publication	Acharya, K. R.
Journal of publication	Proceedings of the Indian Academy of Sciences - Chemical Sciences
Year of publication	1984
Journal volume	93
Journal issue	2
Pages of publication	183 - 187
a	4.488 ± 0.002 Å
b	31.886 ± 0.004 Å
c	8.067 ± 0.002 Å
α	90°
β	105.99°
γ	90°
Cell volume	1109.8 ± 0.6 Å³
Cell temperature	413 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation probe	x-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264768 (current)	2021-05-03	cif/1/51/91/ Removed the _citation_author_name data item which was accidentally not removed during the previous revision from entry 1519159.	1519159.cif
264767	2021-05-03	cif/ Removed the _citation_author_name data item from entries 1519159, 4320282 since the same information was provided using the _publ_author_name data item.	1519159.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519159.cif
135472	2015-05-01	cif/ Adding structures of 1519159 via cif-deposit CGI script.	1519159.cif