Crystallography Open Database

Information card for entry 7225297

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Structure parameters

Chemical name	9-(pyrimidin-2-yl)-1-(p-tolyl)-9H-carbazole
Formula	C23 H17 N3
Calculated formula	C23 H17 N3
SMILES	c1ccnc(n2c3ccccc3c3c2c(ccc3)c2ccc(cc2)C)n1
Title of publication	Ru-Catalyzed highly site-selective C-H bond arylation of 9-(pyrimidin-2-yl)-9H-carbazole
Authors of publication	k, harsha vardhan reddy; R, Uday Kumar; V, Prakash reddy; G, Satish; Nanubolu, Jagadeesh Babu; Yadavalli, Venkata Durga Nageswar
Journal of publication	RSC Adv.
Year of publication	2016
a	9.5942 ± 0.0006 Å
b	11.3101 ± 0.0007 Å
c	16.433 ± 0.001 Å
α	90°
β	96.693 ± 0.001°
γ	90°
Cell volume	1771.01 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0415
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7225297.cif
183046	2016-05-20	cif/ Adding structures of 7225297 via cif-deposit CGI script.	7225297.cif