Crystallography Open Database

Information card for entry 2200829

2200828 << 2200829 >> 2200830

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2200829.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	3-amino-5,6-dicyano-1-phenylimino-1H-isoindole
Formula	C16 H9 N5
Calculated formula	C16 H9 N5
SMILES	C1(N=C(c2cc(c(cc12)C#N)C#N)N)=Nc1ccccc1
Title of publication	3-Amino-5,6-dicyano-1-phenylimino-1<i>H</i>-isoindole
Authors of publication	Dahl, Tor
Journal of publication	Acta Crystallographica Section E
Year of publication	2002
Journal volume	58
Journal issue	2
Pages of publication	o139 - o141
a	11.571 ± 0.003 Å
b	7.18 ± 0.003 Å
c	15.53 ± 0.005 Å
α	90°
β	95.94 ± 0.04°
γ	90°
Cell volume	1283.3 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1275
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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