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/C15H17N5O.3CO.BrH.Re/c1-3-4-7-11-10-20(19-18-11)14-15(21-2)17-13-9-6-5-8-12(13)16-14;3*1-2;;/h5-6,8-10H,3-4,7H2,1-2H3;;;;1H;/q;;;;;+1/p-1
SMILES CCCCc1nnn(c1)c1nc2ccccc2nc1OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].Br[Re]
InChI Key PYYHJKNUGLATJQ-UHFFFAOYSA-M
Exact Mass 633.470 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PYYHJKNUGLATJQ-UHFFFAOYSA-M/CHMO0000159
License URL
Source https://www.chemotion-repository.net/inchikey/PYYHJKNUGLATJQ-UHFFFAOYSA-M/CHMO0000159
Version
Author Olaf Fuhr
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-16
Related Molecule
  • bromorhenium;2-(4-butyltriazol-1-yl)-3-methoxyquinoxaline;carbon monoxide
    • Field Value
    Measurement Technique single crystal X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.