Crystallography Open Database

Information card for entry 2238727

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Structure parameters

Common name	Pimobendan B form
Chemical name	(<i>RS</i>)-6-[2-(4-Methoxyphenyl)-1<i>H</i>-benzimidazol-5-yl]-5-methyl-4,5-dihydropyridazin-3(2<i>H</i>)-one
Formula	C19 H18 N4 O2
Calculated formula	C19 H18 N4 O2
SMILES	n1c([nH]c2cc(ccc12)C1=NNC(=O)CC1C)c1ccc(OC)cc1
Title of publication	Pimobendan B from powder diffraction data
Authors of publication	Zvirgzdins, Alvis; Delina, Mara; Mishnev, Anatoly; Actins, Andris
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	o1677
a	18.891 ± 0.005 Å
b	9.9619 ± 0.0005 Å
c	9.5029 ± 0.0008 Å
α	90°
β	90.799 ± 0.013°
γ	90°
Cell volume	1788.2 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Goodness-of-fit parameter for all reflections	1.3
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238727.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238727.cif
91135	2013-12-09	cif/ Adding structures of 2238727 via cif-deposit CGI script.	2238727.cif