Information card for entry 7215662
Common name
Creatine form I
Formula
C4 H9 N3 O2
Calculated formula
C4 H9 N3 O2
SMILES
O=C([O-])CN(C(=[NH2+])N)C
Title of publication
Structure and stability of two polymorphs of creatine and its monohydrate
Authors of publication
Arlin, Jean-Baptiste; Bhardwaj, Rajni M.; Johnston, Andrea; Miller, Gary J.; Bardin, Julie; MacDougall, Fiona; Fernandes, Philippe; Shankland, Kenneth; David, William I. F.; Florence, Alastair J.
Journal of publication
CrystEngComm
Year of publication
2014
Journal volume
16
Journal issue
35
Pages of publication
8197
a
11.945 ± 0.0002 Å
b
9.5273 ± 0.0001 Å
c
5.3438 ± 0.0001 Å
α
90°
β
90°
γ
90°
Cell volume
608.144 ± 0.017 Å3
Cell temperature
298 ± 2 K
Ambient diffraction temperature
298 ± 2 K
Number of distinct elements
4
Space group number
33
Hermann-Mauguin space group symbol
P n 21 a
Hall space group symbol
P -2ac -2n
Goodness-of-fit parameter for all reflections
2.099
Method of determination
powder diffraction
Diffraction radiation wavelength
1.54056 Å
Has coordinates
Yes
Has disorder
No
Has Fobs
No
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7215662.html