Crystallography Open Database

Information card for entry 1501687

Preview

Coordinates	1501687.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	8.21673 ± 0.00014 Å
b	5.99825 ± 0.00008 Å
c	4.54871 ± 0.00007 Å
α	90°
β	93.8929 ± 0.0014°
γ	90°
Cell volume	223.67 ± 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	0.06151
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

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1501687.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501687.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501687.cif
35039	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501687 via cif-deposit CGI script.	1501687.cif