Crystallography Open Database

Information card for entry 2203485

2203484 << 2203485 >> 2203486

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Structure parameters

Chemical name	2-Phenylimidazoline
Formula	C9 H10 N2
Calculated formula	C9 H10 N2
SMILES	C1(=NCCN1)c1ccccc1
Title of publication	Hydrogen bonding in 2-phenylimidazoline
Authors of publication	Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	4
Pages of publication	o527 - o529
a	13.4996 ± 0.0006 Å
b	5.1922 ± 0.0002 Å
c	22.4019 ± 0.0013 Å
α	90°
β	95.88 ± 0.004°
γ	90°
Cell volume	1561.95 ± 0.13 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0828
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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