Crystallography Open Database

Information card for entry 2204672

2204671 << 2204672 >> 2204673

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Structure parameters

Formula	C18 H24 Cl N O3
Calculated formula	C18 H24 Cl N O3
SMILES	[Cl-].O[C@H]([C@@H](C)[NH2+][C@H](C)COc1ccccc1)c1ccc(cc1)O.[Cl-].O[C@@H]([C@H](C)[NH2+][C@@H](C)COc1ccccc1)c1ccc(cc1)O
Title of publication	A monoclinic polymorph of isoxsuprine hydrochloride
Authors of publication	Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Narasegowda, Rajenahally S.; Nagarajab, Padmarajaiah; Bolte, Michael
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	12
Pages of publication	o2228 - o2229
a	12.0767 ± 0.0011 Å
b	19.3499 ± 0.0012 Å
c	7.8018 ± 0.0007 Å
α	90°
β	107.482 ± 0.007°
γ	90°
Cell volume	1738.9 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0386
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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