Crystallography Open Database

Information card for entry 1516168

Preview

Coordinates	1516168.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Serotonin oxalate
Chemical name	2-(5-Hydroxy-1H-indol-3-yl)ethanaminium 2-hydroxy-2-oxoacetate
Formula	C12 H14 N2 O5
Calculated formula	C12 H14 N2 O5
Title of publication	The Crystal Structure of Serotonin Hydrogen Oxalate
Authors of publication	Amit, A.; Mester, L.; Klewe, B.; Furberg, S.
Journal of publication	Acta Chemica Scandinavica A
Year of publication	1978
Pages of publication	267 - 270
a	18.385 ± 0.005 Å
b	5.62 ± 0.002 Å
c	12.034 ± 0.004 Å
α	90°
β	96.57 ± 0.02°
γ	90°
Cell volume	1235.2 ± 0.7 Å³
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267937 (current)	2021-08-04	cif/1/51/61/ Updated the '_chemical_name_systematic' data item value in entry 1516168.	1516168.cif
249449	2020-03-17	cif/1/ Switching from COD_ERROR to COD_ENTRY_ISSUE CIF data items to describe the issues in a bunch of entries in range 1*.	1516168.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.	1516168.cif
114058	2014-05-21	cif/ Updating files of 1516168 Original log message: Adding missed hydrogens H12 and H13.	1516168.cif
114057	2014-05-21	cif/ Adding structures of 1516168 via cif-deposit CGI script.	1516168.cif