Crystallography Open Database

Information card for entry 1501686

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Coordinates	1501686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H8 Cl N
Calculated formula	C2 H8 Cl N
SMILES	[NH3+]CC.[Cl-]
Title of publication	Thermal and structural properties of ethylammonium chloride and its mixture with water.
Authors of publication	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero
Journal of publication	The journal of physical chemistry. B
Year of publication	2011
Journal volume	115
Journal issue	17
Pages of publication	4887 - 4899
a	8.20987 ± 0.00014 Å
b	5.99729 ± 0.00008 Å
c	4.54601 ± 0.00007 Å
α	90°
β	93.8491 ± 0.0014°
γ	90°
Cell volume	223.327 ± 0.006 Å³
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
RFsqd	0.06612
Goodness-of-fit parameter for all reflections	1.42
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	Kα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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