Crystallography Open Database

Information card for entry 2008869

2008868 << 2008869 >> 2008870

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Structure factors	2008869.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	2,2'-Bi-2-imidazoline
Formula	C6 H10 N4
Calculated formula	C6 H10 N4
SMILES	C1CN=C(N1)C1=NCCN1
Title of publication	2,2'-Bi-2-imidazoline
Authors of publication	Brennan, Conor J.; McKee, Vickie
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	9
Pages of publication	1492 - 1494
a	5.152 ± 0.0005 Å
b	10.472 ± 0.0011 Å
c	6.3709 ± 0.0007 Å
α	90°
β	105.659 ± 0.002°
γ	90°
Cell volume	330.96 ± 0.06 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 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	0.0399
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.