Crystallography Open Database

Information card for entry 2007304

2007303 << 2007304 >> 2007305

Preview

Coordinates	2007304.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	5-Amino-8-cyano-2,4-diphenyl-7-(pyrrolidin-1yl)-1,6-naphthyridine
Formula	C25 H21 N5
Calculated formula	C25 H21 N5
SMILES	N#Cc1c(nc(c2c1nc(cc2c1ccccc1)c1ccccc1)N)N1CCCC1
Title of publication	5-Amino-2,4-diphenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile
Authors of publication	Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak; Periyasamy Murugan; Vayalakkavoor T.Ramakrishnan
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	6
Pages of publication	781 - 783
a	9.0996 ± 0.0007 Å
b	10.9985 ± 0.0009 Å
c	11.3214 ± 0.0008 Å
α	98.956 ± 0.007°
β	109.026 ± 0.006°
γ	103.602 ± 0.006°
Cell volume	1007.29 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0738
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for all reflections	0.1341
Weighted residual factors for significantly intense reflections	0.1207
Goodness-of-fit parameter for all reflections	0.938
Goodness-of-fit parameter for significantly intense reflections	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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