Crystallography Open Database

Information card for entry 2217071

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Structure parameters

Chemical name	N-(2-Chloroquinolin-3-ylmethylene)aniline
Formula	C16 H11 Cl N2
Calculated formula	C16 H11 Cl N2
SMILES	Clc1nc2ccccc2cc1/C=N/c1ccccc1
Title of publication	<i>N</i>-(2-Chloroquinolin-3-ylmethylene)aniline
Authors of publication	Kalkhambkar, Rajesh G.; Kulkarni, Geeta M.; Hwang, Wen-Shu; Lee, Chen-Shiang
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	1
Pages of publication	o258 - o258
a	6.0069 ± 0.0003 Å
b	11.6812 ± 0.0006 Å
c	18.3798 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1289.67 ± 0.11 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0296
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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