Crystal structure data for Compound 15. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium
DOI: 10.14469/hpc/11332 Metadata
Created: 2022-10-09 10:28
Last modified: 2024-06-27 15:34
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Primary crystal structure data for Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium (15)
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| AB2118.cif | 411KB | chemical/x-cif | CIF processed data |
| AB2118.7z | 544MB | application/x-7z-compressed | g7z archive of primary crystal structure data |
| AB2118.tar.gz | 560MB | application/gzip | gzip archive of primary crystal structure data |
| 15.png | 31KB | image/png | Image representation |
| 15.cdxml | 19KB | chemical/x-cdxml | Chemdraw connection table |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11333 | Primary Crystal data for Compound 15. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.14469/hpc/11334 | Crystal structure data for Compound 15b |
| References | 10.5517/ccdc.csd.cc2d6px7 | CSD Entry: VIPGEN |
| isReferencedBy | 10.5517/ccdc.csd.cc2d6px7 | CSD Entry: VIPGEN |
Subject Keywords
| Keyword | Value |
|---|---|
| IFD.XRAY | Crystal structure |
| inchi | InChI=1S/2C14H16N2O4.2C2H6O.Mg/c2*1-3-20-14(18)12-8-15-16(13(12)17)9-10-4-6-11(19-2)7-5-10;2*1-2-3;/h2*4-8,17H,3,9H2,1-2H3;2*3H,2H2,1H3;/q;;;;+2/p-2 |
| inchikey | UAUYGAYKJHGVFM-UHFFFAOYSA-L |
| SMILES | [H]O(CC)[Mg]12(OC3=C(C(OCC)=O1)C=NN3CC4=CC=C(OC)C=C4)(OC5=C(C(OCC)=O2)C=NN5CC6=CC=C(OC)C=C6)O([H])CC |