Crystallography Open Database

Information card for entry 8100337

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Coordinates	8100337.cif
External links	ChemSpider

Structure parameters

Formula	C4 H8 Cl2 N2
Calculated formula	C4 H8 Cl2 N2
SMILES	ClC(=NC(C)=[NH2+])C.[Cl-]
Title of publication	Crystal structure of 1-[[(Z)-1-chloroethylidene]-amino]-ethaneiminium chloride, [CH~3~ClNCNH~2~CH~3~]Cl
Authors of publication	Noll, Andrea; Müller, Ulrich
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2003
Journal volume	218
Journal issue	2
Pages of publication	216 - 216
a	4.828 ± 0.002 Å
b	10.497 ± 0.003 Å
c	14.83 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	751.6 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202018 (current)	2017-10-14	cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	8100337.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	8100337.cif
105732	2014-03-12	cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100337.cif
100883	2014-02-08	cif/8/10/ (antanas@lokys.ibt.lt) Adding volume numbers, changing journal name to a more informative one.	8100337.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100337.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	8100337.cif
48	2008-01-29	Fixing syntax errors in 38 more files. There might be a miscrepancy introduced into cifs-with-errors.lst.	8100337.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	8100337.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100337.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	8100337.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	8100337.cif