Crystallography Open Database

Information card for entry 2238926

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Structure parameters

Chemical name	6-(4-Aminophenyl)-2-methoxy-4-phenylnicotinonitrile
Formula	C19 H15 N3 O
Calculated formula	C19 H15 N3 O
SMILES	COc1nc(cc(c1C#N)c1ccccc1)c1ccc(cc1)N
Title of publication	6-(4-Aminophenyl)-2-methoxy-4-phenylnicotinonitrile
Authors of publication	Suwunwong, Thitipone; Chantrapromma, Suchada; Quah, Ching Kheng; Fun, Hoong-Kun
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	o1816 - o1817
a	10.9448 ± 0.0012 Å
b	18.96 ± 0.002 Å
c	7.4738 ± 0.0008 Å
α	90°
β	94.743 ± 0.002°
γ	90°
Cell volume	1545.6 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.0676
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238926.cif
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.	2238926.cif
171761	2015-12-30	cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2.	2238926.cif
92346	2014-01-12	cif/ Adding structures of 2238926 via cif-deposit CGI script.	2238926.cif