Crystallography Open Database

Information card for entry 2008919

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Structure parameters

Chemical name	Intramolecular N-H...π(Phenyl) and Intermolecular C-H...π(Phenyl) Interaction in 5-Amino-8-cyano-2-phenyl-4(4-methoxy-phenyl-7- (piperidine-1-yl)-1,6-Naphthyridine
Formula	C30 H28 N5 O
Calculated formula	C30 H28 N5 O
SMILES	n1c(cc(c2c(nc(c(c12)C#N)N1CCCCC1)N)c1ccc(cc1)OC)c1ccccc1.c1ccccc1
Title of publication	Intramolecular N—H···π(phenyl) and intermolecular C—H···π(phenyl) interactions in 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-piperidino-1,6-naphthyridine-8-carbonitrile–benzene(2/1)
Authors of publication	R. Thirumurugan; S.Shanmuga Sundara Raj; G.Shanmugam; Hoong-Kun Fun; V. Raghukumar; V.T. Ramakrishnan
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	9
Pages of publication	1522 - 1524
a	9.6477 ± 0.0001 Å
b	14.9004 ± 0.0002 Å
c	18.0803 ± 0.0003 Å
α	75.92 ± 0.001°
β	84.206 ± 0.001°
γ	75.546 ± 0.001°
Cell volume	2439.01 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.1833
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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