Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C20H16N4O2/c1-3-8-24-18-10-16(12-22)15(11-21)9-17(18)23-19(24)13-4-6-14(7-5-13)20(25)26-2/h4-7,9-10H,3,8H2,1-2H3
SMILES CCCn1c(nc2c1cc(C#N)c(c2)C#N)c1ccc(cc1)C(=O)OC
InChI Key DXIBAQPVFFVWMB-UHFFFAOYSA-N
Molecular Formula C20H16N4O2
Exact Mass 344.367 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DXIBAQPVFFVWMB-UHFFFAOYSA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/DXIBAQPVFFVWMB-UHFFFAOYSA-N/CHMO0000156
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-07
Related Molecule
  • methyl 4-(5,6-dicyano-1-propylbenzimidazol-2-yl)benzoate
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.