Crystallography Open Database

Information card for entry 1101068

Preview

Coordinates	1101068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H11 N3 O3
Calculated formula	C4 H11 N3 O3
SMILES	C(=[NH2+])(N)N(C)CC(=O)[O-].O
Title of publication	The crystal structure of creatine monohydrate
Authors of publication	Jensen, L. H.
Journal of publication	Acta Crystallographica
Year of publication	1955
Journal volume	8
Journal issue	4
Pages of publication	237 - 240
a	12.52 Å
b	5.03 Å
c	12.18 Å
α	90°
β	108.8°
γ	90°
Cell volume	726.121 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Duplicate of	5000026
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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