Crystallography Open Database

Information card for entry 2017769

2017768 << 2017769 >> 2017770

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Structure parameters

Common name	meso-hexamethyl propylene amine oxime (meso-HMPAO)
Chemical name	<i>meso</i>-3,3'-[2,2-dimethylpropane-1,3-diylbis(azanediyl)]dibutan-2-one dioxime
Formula	C13 H28 N4 O2
Calculated formula	C13 H28 N4 O2
SMILES	C(C)(C)(CN[C@@H](C)C(\C)=N\O)CN[C@H](C)C(=N\O)\C
Title of publication	Powder X-ray studies of <i>meso</i>-hexamethyl propylene amine oxime (<i>meso</i>-HMPAO) in two different phases
Authors of publication	Al-Ktaifani, Mahmoud; Rukiah, Mwaffak
Journal of publication	Acta Crystallographica, Section C
Year of publication	2010
Journal volume	66
Journal issue	9
Pages of publication	o479 - o483
a	16.4453 ± 0.0004 Å
b	15.9587 ± 0.0003 Å
c	6.20073 ± 0.00011 Å
α	90°
β	94.7097 ± 0.0013°
γ	90°
Cell volume	1621.86 ± 0.06 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Goodness-of-fit parameter for all reflections	1.16
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301798 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure.	2017769.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2017769.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2017769.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2017769.cif
3811	2010-11-21	../uploads/cif-deposit/cod/cif Adding structures of 2017768, 2017769 via cif-deposit CGI script.	2017769.cif