Crystallography Open Database

Information card for entry 7200245

7200244 << 7200245 >> 7200246

Preview

Coordinates	7200245.cif
Original paper (by DOI)	HTML

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	36.2306 ± 0.0016 Å
b	5.4899 ± 0.0001 Å
c	26.446 ± 0.0011 Å
α	90°
β	95.6441 ± 0.0012°
γ	90°
Cell volume	5234.7 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0986
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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