Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C14H11N3O3/c1-9(18)17-8-13(19)16-12(14(17)20)6-10-2-4-11(7-15)5-3-10/h2-6H,8H2,1H3,(H,16,19)/b12-6-
SMILES N#Cc1ccc(cc1)/C=C/1\NC(=O)CN(C1=O)C(=O)C
InChI Key DDZMJSZYMNIGEY-SDQBBNPISA-N
Molecular Formula C14H11N3O3
Exact Mass 269.255 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DDZMJSZYMNIGEY-SDQBBNPISA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/DDZMJSZYMNIGEY-SDQBBNPISA-N/CHMO0000156
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-09-19
Related Molecule
  • 4-[(Z)-(4-acetyl-3,6-dioxopiperazin-2-ylidene)methyl]benzonitrile
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889740 PubChem
    The data in this table is sourced from UniChem at EBI.