Crystal structure data for Compound 15b. Bis(ethanol) bis(4-(ethoxycarbonyl)-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)magnesium

DOI: 10.14469/hpc/11334 Metadata

Created: 2022-10-09 10:34

Last modified: 2024-10-31 11:00

Author: Henry Rzepa

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

FilenameSizeTypeDescription
AB2111.cif 463KB chemical/x-cif CIF processed data
AB2111.7z.001 900MB application/octet-stream Part 1 of g7z archive of primary crystal structure data
AB2111.7z.002 900MB application/octet-stream Part 2 of g7z archive of primary crystal structure data
AB2111.7z.003 309MB application/octet-stream Part 3 of g7z archive of primary crystal structure data
AB2111.zip.001 900MB application/octet-stream Part 1 of zip archive of primary crystal structure data
AB2111.zip.002 900MB application/octet-stream Part 2 of zip archive of primary crystal structure data
AB2111.zip.003 342MB application/octet-stream Part 3 of zip archive of primary crystal structure data
15b.cdxml 20KB chemical/x-cdxml Chemdraw connection table
15.png 31KB image/png Image representation
15b.jpg 75KB image/jpeg Image representation
15b.png 31KB image/png Image representation

Member of collection / collaboration

DOIDescription
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 ...DOIDescription
References 10.5517/ccdc.csd.cc2d6py8 CSD Entry: VIPJIR
isReferencedBy 10.5517/ccdc.csd.cc2d6py8 CSD Entry: VIPJIR

Subject Keywords

KeywordValue
IFD.XRAY Crystal structure
inchi HO(CC)Mg[0](OC[5]=C(C(OCC)=O)C=NN@6CC[29]=CC=C(OC)C=C@29)@1(OC[13]=C(C(OCC)=O)C=NN@13CC[42]=CC=C(OC)C=C@42)@1O(H)CC
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

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