Crystallography Open Database

Information card for entry 7200244

7200243 << 7200244 >> 7200245

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Structure parameters

Formula	C10 H9 N3
Calculated formula	C10 H9 N3
SMILES	n1c(N)ncc(c1)c1ccccc1
Title of publication	Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation
Authors of publication	Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	2
Pages of publication	306
a	17.8896 ± 0.0008 Å
b	7.3769 ± 0.0004 Å
c	6.782 ± 0.0004 Å
α	90°
β	97.31 ± 0.003°
γ	90°
Cell volume	887.74 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1361
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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