Crystallography Open Database

Information card for entry 7202959

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Structure parameters

Formula	C10 H9 N O2
Calculated formula	C10 H9 N O2
SMILES	c1(=O)cc(c2ccc(cc2o1)N)C
Title of publication	New crystalline form of 7-amino-4-methylcoumarin (coumarin 120)—a polymorph with 1 ∶ 1 valence tautomers
Authors of publication	Niedziałek, Dorota; Urbanczyk-Lipkowska, Zofia
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	9
Pages of publication	735
a	6.7981 ± 0.0008 Å
b	7.1085 ± 0.0009 Å
c	9.5555 ± 0.001 Å
α	71.489 ± 0.011°
β	84.54 ± 0.009°
γ	69.982 ± 0.012°
Cell volume	411.37 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0701
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	0.74
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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