Crystallography Open Database

Information card for entry 2004329

2004328 << 2004329 >> 2004330

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Coordinates	2004329.cif
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	2-Cyano-<i>N</i>-furfuryl-3-(2-furyl)acrylamide
Authors of publication	Pomés Hernández, R.; Duque Rodríguez, J.; Novoa de Armas, H.; Toscano, R. A.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	1
Pages of publication	203 - 205
a	5.311 ± 0.001 Å
b	9.495 ± 0.001 Å
c	11.442 ± 0.002 Å
α	94.13 ± 0.02°
β	93.79 ± 0.02°
γ	93.6 ± 0.02°
Cell volume	572.92 ± 0.16 Å³
Cell temperature	298 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	0.041
Weighted residual factors for significantly intense reflections	0.039
Goodness-of-fit parameter for significantly intense reflections	1.17
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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