Crystallography Open Database

Information card for entry 8100003

Preview

Coordinates	8100003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N O4 S2
Calculated formula	C24 H19 N O4 S2
SMILES	S(=O)(=O)(c1c(Cc2ncccc2)ccc(S(=O)(=O)c2ccccc2)c1)c1ccccc1
Title of publication	Crystal structure of 2-(2',4'-diphenylsulfonylbenzyl)pyridine, C~24~H~19~NO~4~S~2~
Authors of publication	Khediri, Lamia; Rzaigui, Mohamed; Heynderickx, Arnault; Corval, Anne; Casalegno, Roger
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2004
Journal volume	219
Journal issue	1
Pages of publication	21 - 22
a	10.319 ± 0.004 Å
b	10.275 ± 0.007 Å
c	11.314 ± 0.01 Å
α	103.01 ± 0.02°
β	96.4 ± 0.02°
γ	64.37 ± 0.03°
Cell volume	1053.7 ± 0.8 Å³
Cell temperature	296 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
208360 (current)	2018-06-14	cif/ Updating space group information and adding the symmetry operation list in 156 entries.	8100003.cif
208348	2018-06-13	cif/8/10/00/ Updating _atom_site_label and _atom_site_type_symbol data values to establish relationships between rows in different loops in entry 8100003.	8100003.cif
134496	2015-03-28	cif/ (antanas@echidna.ibt.lt) Changing tag order in '_atom_site' loop to correspond to the values for CIFs 4321160, 4321192, 7009011, 8100003, 8100334. A more detailed explanation of made changes is given in the '_cod_depositor_comments' tag value.	8100003.cif
106804	2014-03-17	cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8100003.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8100003.cif
5310	2011-01-02	cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.	8100003.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.	8100003.cif
922	2009-12-09	cif/ Fixing manually missing braces in series 4, 7 and 8 CIFs.	8100003.cif
44	2008-01-29	10 files corrected for syntax mistakes.	8100003.cif
23	2008-01-27	Removed characters with the high-bit set from all COD CIF files, using the following commands: ff \*.cif \ \| xargs -n1 perl -ne 'print $ARGV,"\n" and last if /[\177-\377]/' \ \| tee have-high-bit-chars.lst cat have-high-bit-chars.lst \ \| xargs -t -n1 -iI sh -c 'iconv -f latin1 I \ \| utf8-to-cif \ \| perl -pe "s//\\\\/g" \ \| fold -w 79 -s > I.tmp; mv I.tmp I' Afterwards, some file were corrected manually, to remove one remaining \177 character, and to fix single-quoted lines that became too long and were folded.	8100003.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/'	8100003.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	8100003.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.	8100003.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)	8100003.cif