Crystallography Open Database

Information card for entry 5000131

Preview

Coordinates	5000131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6 N4 O S
Calculated formula	C5 H6 N4 O S
Title of publication	The crystal and molecular structure of 6-mercaptopurine monohydrate
Authors of publication	Sletten, E.; Sletten, J.; Jensen, L. H.
Journal of publication	Acta Crystallographica Section B
Year of publication	1969
Journal volume	25
Journal issue	7
Pages of publication	1330 - 1338
a	15.294 ± 0.002 Å
b	7.732 ± 0.001 Å
c	12.379 ± 0.001 Å
α	90°
β	101.64 ± 0.01°
γ	90°
Cell volume	1433.75 Å³
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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