catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide]
The title compound, {[Cu(C10H7O4)2(C14H14N4O2)(H2O)2]n, contains octahedrally coordinated CuII ions ligated by two bis(1,3-dihydro-3-oxo-1-isobenzofuranacetate (dibf) ligands and two trans water molecules, linked by N,N′-(ethane-1,2-diyl)dinicotinamide (edn) ligands into mono-periodic coordination p...
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2023-09-01
|
| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314623007642 |
| _version_ | 1797641064297791488 |
|---|---|
| author | Sean R. Pumford Robert L. LaDuca |
| author_facet | Sean R. Pumford Robert L. LaDuca |
| author_sort | Sean R. Pumford |
| collection | DOAJ |
| description | The title compound, {[Cu(C10H7O4)2(C14H14N4O2)(H2O)2]n, contains octahedrally coordinated CuII ions ligated by two bis(1,3-dihydro-3-oxo-1-isobenzofuranacetate (dibf) ligands and two trans water molecules, linked by N,N′-(ethane-1,2-diyl)dinicotinamide (edn) ligands into mono-periodic coordination polymer chains. The dibf ligands exhibit a pseudo-mirror positional disorder over two positions in a 89.2 (3)/10.8 (3) ratio; the central amide groups of the edn ligands are disordered pseudo-rotationally in the same ratio. These mono-periodic chain motifs are held into supramolecular di-periodic supramolecular layers by means of N—H...O hydrogen bonding between edn amide groups and unligated dibf carboxylate O atoms. In turn, the supramolecular layers are held by crystal packing forces into the full crystal structure of the title compound. |
| first_indexed | 2024-03-11T13:40:08Z |
| format | Article |
| id | doaj.art-3597f448c9c34539830836c5237a1618 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-03-11T13:40:08Z |
| publishDate | 2023-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-3597f448c9c34539830836c5237a16182023-11-02T13:45:36ZengInternational Union of CrystallographyIUCrData2414-31462023-09-0189x23076410.1107/S2414314623007642zl4058catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide]Sean R. Pumford0Robert L. LaDuca1H. H. Dow High School, Midland, MI 48640, USAE-35 Holmes Hall, Michigan State University, Lyman Briggs College, 919 E. Shaw Lane, East Lansing, MI 48825, USAThe title compound, {[Cu(C10H7O4)2(C14H14N4O2)(H2O)2]n, contains octahedrally coordinated CuII ions ligated by two bis(1,3-dihydro-3-oxo-1-isobenzofuranacetate (dibf) ligands and two trans water molecules, linked by N,N′-(ethane-1,2-diyl)dinicotinamide (edn) ligands into mono-periodic coordination polymer chains. The dibf ligands exhibit a pseudo-mirror positional disorder over two positions in a 89.2 (3)/10.8 (3) ratio; the central amide groups of the edn ligands are disordered pseudo-rotationally in the same ratio. These mono-periodic chain motifs are held into supramolecular di-periodic supramolecular layers by means of N—H...O hydrogen bonding between edn amide groups and unligated dibf carboxylate O atoms. In turn, the supramolecular layers are held by crystal packing forces into the full crystal structure of the title compound.http://scripts.iucr.org/cgi-bin/paper?S2414314623007642crystal structurecoordination polymerin situ lactonizationdibfedn |
| spellingShingle | Sean R. Pumford Robert L. LaDuca catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide] IUCrData crystal structure coordination polymer in situ lactonization dibf edn |
| title | catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide] |
| title_full | catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide] |
| title_fullStr | catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide] |
| title_full_unstemmed | catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide] |
| title_short | catena-Poly[[diaquabis(1,3-dihydro-3-oxoisobenzofuran-1-acetato)copper(II)]-μ-N,N′-(ethane-1,2-diyl)dinicotinamide] |
| title_sort | catena poly diaquabis 1 3 dihydro 3 oxoisobenzofuran 1 acetato copper ii μ n n ethane 1 2 diyl dinicotinamide |
| topic | crystal structure coordination polymer in situ lactonization dibf edn |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314623007642 |
| work_keys_str_mv | AT seanrpumford catenapolydiaquabis13dihydro3oxoisobenzofuran1acetatocopperiimnnethane12diyldinicotinamide AT robertlladuca catenapolydiaquabis13dihydro3oxoisobenzofuran1acetatocopperiimnnethane12diyldinicotinamide |