Crystallography Open Database

Information card for entry 2004825

2004824 << 2004825 >> 2004826

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C13 H10 N2 O3
Calculated formula	C13 H10 N2 O3
SMILES	N#CC(=C\c1ccco1)/C(=O)NCc1ccco1
Title of publication	Structure of <i>N</i>-(2-furylmethyl)-α-cyano-2-furanacrylamide. Addendum
Authors of publication	Durruthy Carbonell, O.; Hernandez, R. A.; Roque Infante, E. M.; Au-Alvarez, O.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	5
Pages of publication	1318 - 1318
a	5.305 ± 0.001 Å
b	9.486 ± 0.002 Å
c	11.437 ± 0.003 Å
α	94.1 ± 0.2°
β	93.8 ± 0.2°
γ	93.6 ± 0.2°
Cell volume	571.5 ± 0.3 Å³
Cell temperature	273 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.1003
Goodness-of-fit parameter for significantly intense reflections	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.