Crystal data for Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (5).
DOI: 10.14469/hpc/12304 Metadata
Created: 2023-02-24 09:52
Last modified: 2024-07-03 11:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary crystal data for compound 5. Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| AB2127_x.cif | 10KB | chemical/x-cif | CIF Crystal data |
| AB2127.tar.gz | 480MB | application/gzip | Raw data archive as gzip |
| AB2127.7z | 467MB | application/x-7z-compressed | Raw data archive as 7zip |
| 5.cdxml | 4KB | chemical/x-cdxml | Chemdraw connection table |
| 5.png | 21KB | image/png | Image structure representation |
| 5.mol | 1KB | chemical/x-mdl-molfile | Molfile connection table |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11799 | Compound 5: Ethyl 3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.5517/ccdc.csd.cc2bw3cq | CSD Entry: YEXYAF |
| isReferencedBy | 10.5517/ccdc.csd.cc2bw3cq | CSD Entry: YEXYAF |
Subject Keywords
| Keyword | Value |
|---|---|
| IFD.XRAY | Crystal structure |
| inchi | InChI=1S/C6H8N2O3/c1-2-11-6(10)4-3-7-8-5(4)9/h3H,2H2,1H3,(H2,7,8,9) |
| inchikey | PJFXDPZWCVXNQZ-UHFFFAOYSA-N |
| SMILES | O=C(C1=CNNC1=O)OCC |