Dataset

single crystal X-ray diffraction (single-crystal X-ray diffraction)

dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction)

Chemical Information

molecular Image
InChI InChI=1S/C20H26N6.2ClH.Fe/c1-23-11-12-24(2)19(23)21-16-9-5-7-15-8-6-10-17(18(15)16)22-20-25(3)13-14-26(20)4;;;/h5-10H,11-14H2,1-4H3;2*1H;/q;;;+2/p-2
SMILES CN1CCN(C1=Nc1cccc2c1c(ccc2)N=C1N(C)CCN1C)C.Cl[Fe]Cl
InChI Key CHWOIVIIAOAZDC-UHFFFAOYSA-L
Molecular Formula C20H26Cl2FeN6
Exact Mass 477.212 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CHWOIVIIAOAZDC-UHFFFAOYSA-L/CHMO0000159
License URL
Source https://www.chemotion-repository.net/inchikey/CHWOIVIIAOAZDC-UHFFFAOYSA-L/CHMO0000159
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-09-18
Related Molecule
  • dichloroiron;N-[8-[(1,3-dimethylimidazolidin-2-ylidene)amino]naphthalen-1-yl]-1,3-dimethylimidazolidin-2-imine
    • Field Value
    Measurement Technique single crystal X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168499161 PubChem
    The data in this table is sourced from UniChem at EBI.