Crystallography Open Database

Information card for entry 2008083

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Structure parameters

Chemical name	4,4'-Dimethyl-6,6'-bis(morpholinomethyl)-2,2'-ethylene dinitrilodimethylidyne)diphenol
Formula	C28 H38 N4 O4
Calculated formula	C28 H38 N4 O4
SMILES	Cc1cc(/C=N/CC/N=C/c2cc(C)cc(c2O)CN2CCOCC2)c(c(c1)CN1CCOCC1)O
Title of publication	2-Hydroxy-5-methyl-3-(morpholinomethyl)benzaldehyde, (I), and 4,4'-dimethyl-6,6'-bis(morpholinomethyl)-2,2'-(ethylenedinitrilodimethylidyne)diphenol, (II)
Authors of publication	S.Shanmuga Sundara Raj; R.Thirumurugan; G.Shanmugam; Hoong-Kun Fun; J.Manonmani; M.Kandaswamy
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	1
Pages of publication	94 - 97
a	11.1356 ± 0.0005 Å
b	9.5825 ± 0.0005 Å
c	12.4721 ± 0.0006 Å
α	90°
β	98.828 ± 0.002°
γ	90°
Cell volume	1315.09 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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
Residual factor for all reflections	0.1268
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for all reflections	0.1749
Weighted residual factors for significantly intense reflections	0.1392
Goodness-of-fit parameter for all reflections	1.037
Goodness-of-fit parameter for significantly intense reflections	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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