Crystallography Open Database

Information card for entry 2000414

2000413 << 2000414 >> 2000415

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Coordinates	2000414.cif
Original IUCr paper	HTML

Structure parameters

Common name	tetra(2-pyridyl)pyrazine
Chemical name	2,3,4,6-tetra(2-pyridyl)pyrazine
Formula	C24 H16 N6
Calculated formula	C24 H16 N6
SMILES	c1ccc(nc1)c1nc(c2ccccn2)c(nc1c1ccccn1)c1ccccn1
Title of publication	A tetragonal form of tetra(2-pyridyl)pyrazine (TPPZ)
Authors of publication	Greaves, B.; Stoeckli-Evans, H.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	12
Pages of publication	2269 - 2271
a	17.121 ± 0.001 Å
b	17.121 ± 0.001 Å
c	13.241 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3881.3 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.053
Weighted residual factors for all reflections	0.072
Weighted residual factors for significantly intense reflections	0.072
Goodness-of-fit parameter for significantly intense reflections	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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