Crystallography Open Database

Information card for entry 2225592

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Structure parameters

Chemical name	Ethyl 3-{5-[(diethylamino)methyl]isoxazol-3-yl}-2- phenylpyrazolo[1,5-<i>a</i>]pyridine-5-carboxylate
Formula	C24 H26 N4 O3
Calculated formula	C24 H26 N4 O3
SMILES	CCOC(=O)c1cc2c(c(c3ccccc3)nn2cc1)c1cc(CN(CC)CC)on1
Title of publication	Ethyl 3-{5-[(diethylamino)methyl]isoxazol-3-yl}-2-phenylpyrazolo[1,5-<i>a</i>]pyridine-5-carboxylate
Authors of publication	Meng, Qing-Yang; Jia, Jiong; Yin, Ling; Zhan, Fu-Xu; Wang, Jian-Wu
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	4
Pages of publication	o723
a	6.125 ± 0.0007 Å
b	13.1425 ± 0.0016 Å
c	13.7139 ± 0.0016 Å
α	93.6 ± 0.002°
β	95.514 ± 0.002°
γ	95.637 ± 0.002°
Cell volume	1090.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0804
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1707
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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