Crystallography Open Database

Information card for entry 2203738

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Structure parameters

Chemical name	(E)-3-{[(Dimethoxythiophosphoryl)methylhydrazono]methyl}-4H-1-benzopyran-4-one
Formula	C13 H15 N2 O4 P S
Calculated formula	C13 H15 N2 O4 P S
SMILES	P(OC)(OC)(=S)N(C)/N=C/c1coc2ccccc2c1=O
Title of publication	(<i>E</i>)-3-{[(Dimethoxythiophosphoryl)methylhydrazono]methyl}-4<i>H</i>-1-benzopyran-4-one, a new chromone derivative substituted with phosphorohydrazide at position 3
Authors of publication	Rybarczyk-Pirek, Agnieszka J.; Nawrot-Modranka, Jolanta
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	6
Pages of publication	o988 - o990
a	8.576 ± 0.0009 Å
b	14.9072 ± 0.0009 Å
c	12.0912 ± 0.0005 Å
α	90°
β	92.146 ± 0.007°
γ	90°
Cell volume	1544.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1403
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1273
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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