Crystallography Open Database

Information card for entry 2005587

2005586 << 2005587 >> 2005588

Preview

Coordinates	2005587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 O3
Calculated formula	C6 H6 O3
SMILES	O=c1ccoc(c1O)C
Title of publication	Two Polymorphic Forms of 3-Hydroxy-2-methyl-4H-pyran-4-one (Maltol)
Authors of publication	Burgess, J.; Fawcett, J.; Russell, D. R.; Hider, R. C.; Hossain, M. B.; Stoner, C. R.; van der Helm, D.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	11
Pages of publication	2917 - 2920
a	7.134 ± 0.001 Å
b	12.152 ± 0.002 Å
c	13.304 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1153.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.