Crystallography Open Database

Information card for entry 2100308

Preview

Coordinates	2100308.cif

Structure parameters

Formula	C3 H4 N2 O2
Calculated formula	C3 H4 N2 O2
SMILES	O=C1NCC(=O)N1
Journal of publication	Acta Crystallographica, Section B
Year of publication	2005
Journal volume	61
Pages of publication	511 - 527
a	9.3538 ± 0.0007 Å
b	12.1757 ± 0.0011 Å
c	7.2286 ± 0.0006 Å
α	90°
β	104.593 ± 0.004°
γ	90°
Cell volume	796.7 ± 0.11 Å³
Cell temperature	190 K
Ambient diffraction temperature	190 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Duplicate of	2100163
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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