Crystal data for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12)
DOI: 10.14469/hpc/11328 Metadata
Created: 2022-10-09 10:06
Last modified: 2024-06-27 16:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary crystal data for (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium (12)
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| AB2120.cif | 224KB | chemical/x-cif | CIF processed data |
| AB2120.7z | 453MB | application/x-7z-compressed | g7z archive of primary crystal data |
| AB2120.tar.gz | 472MB | application/gzip | gzip archive of primary crystal data |
| 12.cdxml | 8KB | chemical/x-cdxml | Chemdraw connection table |
| 12.cdxml | 8KB | chemical/x-cdxml | Chemdraw connection table V2 |
| 12.png | 17KB | image/png | Image structure representation |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11257 | Compound 12: (4-(Ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)sodium |
Subject Keywords
| Keyword | Value |
|---|---|
| IFD.XRAY | Crystal structure |
| inchi | InChI=1S/C12H12N2O3.Na/c1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;/h3-8,15H,2H2,1H3;/q;+1/p-1 |
| inchikey | AKKLILOXIQSUNT-UHFFFAOYSA-M |
| SMILES | CCOC1=O[Na]OC2=C1C=NN2C3=CC=CC=C3 |