Search for Cl(-) interactions with aryl rings and Aryl C-H bonds.

DOI: 10.14469/hpc/2052 Metadata

Created: 2017-01-09 13:49

Last modified: 2019-02-05 16:48

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Search query for use with Conquest and the CSD.

Files

FilenameSizeTypeDescription
Cl.qry 35KB application/octet-stream Conquest search definition
cl-ring.cif 163KB chemical/x-cif Hits for Cl(-)..ring-centroid-C-aryl
ClHC.cif 846KB chemical/x-cif Hits for Cl(-)...HC-aryl

Member of collection / collaboration

DOIDescription
10.14469/hpc/2051 Crystal search data for Kinetic Resolution of 2-Substituted Indolines via N-Sulfonylation using an Atropisomeric 4-DMAP-N-oxide Organocatalyst.

Subject Keywords

KeywordValue
inchi InChI=1S/C7H6Cl2N3.C2H4.Cl/c8-4-2-1-3-5(9)6(4)12-7(10)11;1-2;/h1-3,10H,(H2,11,12);1-2H2;
inchi InChI=1S/C22H16N3O.C2H2.CH2O.Cl.2H/c1-16-17(2)24-13-14-25(19-7-5-4-6-8-19)22(24)21(16)15-23-18-9-11-20(26-3)12-10-18;2*1-2;;;/h1-2,5,7-15,23H,3H3;1-2H;1H2;;;/b23-15+;;;;;
inchikey LHXDZIXXDZVTGY-UHFFFAOYSA-N
inchikey QZQRMBDVARNLOV-WBIAXQAASA-N

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