Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C22H12N2/c23-11-13-9-19-20(10-14(13)12-24)22-16-6-2-1-5-15(16)21(19)17-7-3-4-8-18(17)22/h1-10,21-22H
SMILES N#Cc1cc2C3c4ccccc4C(c2cc1C#N)c1c3cccc1
InChI Key PJTVVOXJBUJBDE-UHFFFAOYSA-N
Molecular Formula C22H12N2
Exact Mass 304.344 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PJTVVOXJBUJBDE-UHFFFAOYSA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/PJTVVOXJBUJBDE-UHFFFAOYSA-N/CHMO0000156
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-07
Related Molecule
  • pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene-4,5-dicarbonitrile
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    627665 PubChem
    J2.554.321A Nikkaji
    The data in this table is sourced from UniChem at EBI.