Crystallography Open Database

Information card for entry 2103834

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Structure parameters

Chemical name	2,2'-Dipyridylamine–fumaric acid (1/1)
Formula	C14 H13 N3 O4
Calculated formula	C14 H13 N3 O4
SMILES	N(c1[nH+]cccc1)c1ncccc1.OC(=O)/C=C\C(=O)[O-]
Title of publication	Salts of maleic and fumaric acids with organic polyamines: comparison of isomeric acids as building blocks in supramolecular chemistry
Authors of publication	Bowes, Katharine F.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section B
Year of publication	2003
Journal volume	59
Journal issue	1
Pages of publication	100 - 117
a	8.0021 ± 0.0004 Å
b	8.7178 ± 0.0004 Å
c	10.8497 ± 0.0004 Å
α	106.257 ± 0.003°
β	109.127 ± 0.003°
γ	98.662 ± 0.002°
Cell volume	661.55 ± 0.06 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 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 all reflections	0.08
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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