Crystallography Open Database

Information card for entry 2020389

2020388 << 2020389 >> 2020390

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Structure parameters

Chemical name	1,1'-(Ethylene-1,2-diyl)dipyridinium dibromide
Formula	C12 H14 Br2 N2
Calculated formula	C12 H14 Br2 N2
SMILES	C([n+]1ccccc1)C[n+]1ccccc1.[Br-].[Br-]
Title of publication	Reaction-path calculations and crystal structures of 1,1'-(ethylene-1,2-diyl)dipyridinium dichloride dihydrate and 1,1'-(ethylene-1,2-diyl)dipyridinium dibromide
Authors of publication	Rukiah, Mwaffak; Al-Ktaifani, Mahmoud M.; Sabra, Mohammad K.
Journal of publication	Acta Crystallographica Section C
Year of publication	2016
Journal volume	72
Journal issue	2
a	5.7608 ± 0.0003 Å
b	6.4257 ± 0.0003 Å
c	9.6848 ± 0.0005 Å
α	80.7074 ± 0.0011°
β	81.2351 ± 0.001°
γ	70.8554 ± 0.0005°
Cell volume	332.33 ± 0.03 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Goodness-of-fit parameter for all reflections	1.3
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181873 (current)	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03	2020389.cif 2020389.hkl
174508	2016-01-16	cif/ hkl/ Adding structures of 2020388, 2020389 via cif-deposit CGI script.	2020389.cif 2020389.hkl