Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C13H12N2O3/c1-9(16)15-8-12(17)14-11(13(15)18)7-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,17)/b11-7-
SMILES CC(=O)N1CC(=O)N/C(=C\c2ccccc2)/C1=O
InChI Key MJCOATFQVUUHFN-XFFZJAGNSA-N
Molecular Formula C13H12N2O3
Exact Mass 244.246 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MJCOATFQVUUHFN-XFFZJAGNSA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/MJCOATFQVUUHFN-XFFZJAGNSA-N/CHMO0000156
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-19
Related Molecule
  • (3Z)-1-acetyl-3-benzylidenepiperazine-2,5-dione
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    79547 surechembl
    5915153 pubchem
    QERVOC CCDC
    The data in this table is sourced from UniChem at EBI.