Crystallography Open Database

Information card for entry 4501722

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Coordinates	4501722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H15 N O2
Calculated formula	C6 H15 N O2
Title of publication	A Solid-State Dehydration Process in an Organic Material Associated with Substantial Hydrogen-Bond Reorganization, Investigated by Powder X-ray Diffraction
Authors of publication	Martí-Rujas, Javier; Morte-Ródenas, Anabel; Guo, Fang; Thomas, Nigel; Fujii, Kotaro; Kariuki, Benson M.; Harris, Kenneth D. M.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	3176
a	6.42596 ± 0.00015 Å
b	7.19411 ± 0.00017 Å
c	10.04415 ± 0.00026 Å
α	66.6999 ± 0.0013°
β	84.6295 ± 0.0015°
γ	83.1542 ± 0.001°
Cell volume	422.873 ± 0.018 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
RFsqd	0.08426
Goodness-of-fit parameter for all reflections	2.11
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54056 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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