Crystallography Open Database

Information card for entry 2239019

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Structure parameters

Chemical name	9-[4-(Azidomethyl)phenyl]-9<i>H</i>-carbazole-3-carbonitrile
Formula	C20 H13 N5
Calculated formula	C20 H13 N5
Title of publication	9-[4-(Azidomethyl)phenyl]-9<i>H</i>-carbazole-3-carbonitrile
Authors of publication	Ramathilagam, C.; Umarani, P. R.; Venkatesan, N.; Rajakumar, P.; Gunasekaran, B.; Manivannan, V.
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	o197
a	9.8457 ± 0.0002 Å
b	8.4032 ± 0.0002 Å
c	19.9127 ± 0.0005 Å
α	90°
β	90.97 ± 0.002°
γ	90°
Cell volume	1647.25 ± 0.07 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.2006
Weighted residual factors for all reflections included in the refinement	0.2298
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181890 (current)	2016-04-06	hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90.	2239019.cif 2239019.hkl
181309	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90.	2239019.cif 2239019.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2239019.cif 2239019.hkl
104851	2014-03-11	cif/ hkl/ Adding structures of 2239019 via cif-deposit CGI script.	2239019.cif 2239019.hkl