Crystallography Open Database

Information card for entry 2202572

2202571 << 2202572 >> 2202573

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2202572.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	2,7-dicyano-9-dicyanomethylene-4,5-dinitrofluorene–benzonitrile (1/1)
Formula	C25 H9 N7 O4
Calculated formula	C25 H9 N7 O4
SMILES	O=N(=O)c1cc(cc2C(=C(C#N)C#N)c3cc(cc(N(=O)=O)c3c12)C#N)C#N.N#Cc1ccccc1
Title of publication	A 1:1 cocrystal of 2,7-dicyano-9-dicyanomethylene-4,5-dinitrofluorene and benzonitrile
Authors of publication	Batsanov, Andrei S.; Perepichka, Dmitrii F.
Journal of publication	Acta Crystallographica Section E
Year of publication	2003
Journal volume	59
Journal issue	9
Pages of publication	o1318 - o1320
a	7.211 ± 0.001 Å
b	9.48 ± 0.002 Å
c	16.451 ± 0.003 Å
α	96.16 ± 0.01°
β	102.41 ± 0.01°
γ	105.3 ± 0.01°
Cell volume	1043.2 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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 all reflections	0.102
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	0.953
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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