Dataset

X-ray diffraction (XRD)

Chemical Info

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

• X-ray diffraction (XRD)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

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
MetadataCreated	2025-03-08T03:04:15.261288
MetadataModified	2025-03-09T03:13:41.568344
MetadataPublished	2025-03-07
Related Molecule

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.