Crystallography Open Database

Information card for entry 1551750

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Structure parameters

Formula	C20 H15 N3
Calculated formula	C20 H15 N3
SMILES	n1(nc(cc1c1ccncc1)c1ccccc1)c1ccccc1
Title of publication	Synthesis and Crystal Structure of 4-(1,3-Diphenyl-1H-pyrazol-5-yl)pyridine
Authors of publication	PRASAD, T. N. Mahadeva; RAGHAVA, B.; SRIDHAR, M. A.; RANGAPPA, K. S.; PRASAD, J. Shashidhara
Journal of publication	X-ray Structure Analysis Online
Year of publication	2010
Journal volume	26
Pages of publication	75
a	10.57 ± 0.0006 Å
b	12.281 ± 0.0013 Å
c	12.175 ± 0.0013 Å
α	90°
β	94.429 ± 0.007°
γ	90°
Cell volume	1575.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
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	0.0572
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1551750.cif
216362	2019-06-20	cif/ Adding structures of 1551750 via cif-deposit CGI script.	1551750.cif