Crystal data for Compound 20. (Aqua)(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)calcium
DOI: 10.14469/hpc/11348 Metadata
Created: 2022-10-09 18:53
Last modified: 2024-07-03 12:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary crystal structure data for (Aqua)(ethanol) bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate)calcium (20)
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| AB2117.cif | 717KB | chemical/x-cif | CIF processed crystal structure data |
| AB2117.7z | 597MB | application/x-7z-compressed | g7z archive of primary crystal structure data |
| AB2117.tar.gz | 616MB | application/gzip | gzip archive of primary crystal structure data |
| 20.png | 56KB | image/png | Image representation |
| 20.cdxml | 15KB | chemical/x-cdxml | Chemdraw connection table |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11347 | Compound 20: bis(4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-olate) calcium |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.5517/ccdc.csd.cc2d6rbq | CSD Entry: VIPBEF |
| isReferencedBy | 10.5517/ccdc.csd.cc2d6rbq | CSD Entry: VIPBEF |
Subject Keywords
| Keyword | Value |
|---|---|
| IFD.XRAY | Crystal structure |
| inchi | InChI=1S/2C12H12N2O3.2C2H6O.Mg/c2*1-2-17-12(16)10-8-13-14(11(10)15)9-6-4-3-5-7-9;2*1-2-3;/h2*3-8,15H,2H2,1H3;2*3H,2H2,1H3;/q;;;;+2/p-2 |
| inchikey | FCXMPNFUGCYHCR-UHFFFAOYSA-L |