Crystallography Open Database

Information card for entry 7210356

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Structure parameters

Formula	C22 H18 N4 O2
Calculated formula	C22 H18 N4 O2
SMILES	C(=O)(c1cc2c(cc1)nccc2)NCCNC(=O)c1cc2cccnc2cc1
Title of publication	Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives
Authors of publication	Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	36
Pages of publication	7212
a	36.179 ± 0.003 Å
b	5.8548 ± 0.0005 Å
c	8.3919 ± 0.0011 Å
α	90°
β	102.225 ± 0.009°
γ	90°
Cell volume	1737.3 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1282
Residual factor for significantly intense reflections	0.0975
Weighted residual factors for significantly intense reflections	0.2733
Weighted residual factors for all reflections included in the refinement	0.2803
Goodness-of-fit parameter for all reflections included in the refinement	1.358
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7210356.cif
180434	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/03.	7210356.cif
87605	2013-08-27	cif/ Adding structures of 7210353, 7210354, 7210355, 7210356, 7210357, 7210358 via cif-deposit CGI script.	7210356.cif