Crystal structure of 4-(3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4′,3′-e]pyridin-4-yl)phenol dimethyl sulfoxide disolvate
A new bispyrazolylpyridine(BPP)-containing derivative, namely, 4-(3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4′,3′-e]pyridin-4-yl)phenol (1), C27H21N5O·2C2H6OS, has been synthesized by a Hantzsch multicomponent reaction using acetic acid (AcOH) as solvent and copper(II) acetate monohydrat...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2025-08-01
|
| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | https://journals.iucr.org/paper?S2056989025006152 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1849338130540265472 |
|---|---|
| author | N'gandi N'gaza Erwann Jeanneau Catherine Marestin Regis Mercier |
| author_facet | N'gandi N'gaza Erwann Jeanneau Catherine Marestin Regis Mercier |
| author_sort | N'gandi N'gaza |
| collection | DOAJ |
| description | A new bispyrazolylpyridine(BPP)-containing derivative, namely, 4-(3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4′,3′-e]pyridin-4-yl)phenol (1), C27H21N5O·2C2H6OS, has been synthesized by a Hantzsch multicomponent reaction using acetic acid (AcOH) as solvent and copper(II) acetate monohydrate [Cu(OAc)2·H2O] as mild oxidant. The structure of the compound was fully characterized by single-crystal X-ray diffraction. The crystallographic study shows that the molecule crystallizes in the triclinic system with space group P1, with one molecule per asymmetric unit. Whereas the phenolic substituent in the para position of the pyridine group is highly twisted from the planar bispyrazolopyridine core [56.19 (4)°], the two phenyl rings present on the nitrogen atoms are only slightly distorted [11.77 (5) and 29.17 (5)°]. The crystal structure is consolidated by intermolecular C—H...O hydrogen bonds and π–π stacking interactions. |
| format | Article |
| id | doaj-art-95cc022c852d4940926c127444179bdb |
| institution | Kabale University |
| issn | 2056-9890 |
| language | English |
| publishDate | 2025-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj-art-95cc022c852d4940926c127444179bdb2025-08-20T03:44:29ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902025-08-0181871171310.1107/S2056989025006152yy2018Crystal structure of 4-(3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4′,3′-e]pyridin-4-yl)phenol dimethyl sulfoxide disolvateN'gandi N'gaza0Erwann Jeanneau1Catherine Marestin2Regis Mercier3Universite Claude Bernard Lyon1, Université Jean Monnet, CNRS UMR 5223, Ingénierie des Matériaux Polymères, F69 621 Cédex, FranceCentre de Diffractométrie Henrin Longchambon, Universite Claude Bernard Lyon1, 69100 Villeurbanne, FranceUniversite Claude Bernard Lyon1, Université Jean Monnet, CNRS UMR 5223, Ingénierie des Matériaux Polymères, F69 621 Cédex, FranceUniversite Claude Bernard Lyon1, Université Jean Monnet, CNRS UMR 5223, Ingénierie des Matériaux Polymères, F69 621 Cédex, FranceA new bispyrazolylpyridine(BPP)-containing derivative, namely, 4-(3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4′,3′-e]pyridin-4-yl)phenol (1), C27H21N5O·2C2H6OS, has been synthesized by a Hantzsch multicomponent reaction using acetic acid (AcOH) as solvent and copper(II) acetate monohydrate [Cu(OAc)2·H2O] as mild oxidant. The structure of the compound was fully characterized by single-crystal X-ray diffraction. The crystallographic study shows that the molecule crystallizes in the triclinic system with space group P1, with one molecule per asymmetric unit. Whereas the phenolic substituent in the para position of the pyridine group is highly twisted from the planar bispyrazolopyridine core [56.19 (4)°], the two phenyl rings present on the nitrogen atoms are only slightly distorted [11.77 (5) and 29.17 (5)°]. The crystal structure is consolidated by intermolecular C—H...O hydrogen bonds and π–π stacking interactions.https://journals.iucr.org/paper?S2056989025006152crystal structuredihydrodipyrazolopyridine |
| spellingShingle | N'gandi N'gaza Erwann Jeanneau Catherine Marestin Regis Mercier Crystal structure of 4-(3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4′,3′-e]pyridin-4-yl)phenol dimethyl sulfoxide disolvate Acta Crystallographica Section E: Crystallographic Communications crystal structure dihydrodipyrazolopyridine |
| title | Crystal structure of 4-(3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4′,3′-e]pyridin-4-yl)phenol dimethyl sulfoxide disolvate |
| title_full | Crystal structure of 4-(3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4′,3′-e]pyridin-4-yl)phenol dimethyl sulfoxide disolvate |
| title_fullStr | Crystal structure of 4-(3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4′,3′-e]pyridin-4-yl)phenol dimethyl sulfoxide disolvate |
| title_full_unstemmed | Crystal structure of 4-(3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4′,3′-e]pyridin-4-yl)phenol dimethyl sulfoxide disolvate |
| title_short | Crystal structure of 4-(3,5-dimethyl-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4′,3′-e]pyridin-4-yl)phenol dimethyl sulfoxide disolvate |
| title_sort | crystal structure of 4 3 5 dimethyl 1 7 diphenyl 1 7 dihydrodipyrazolo 3 4 b 4 3 e pyridin 4 yl phenol dimethyl sulfoxide disolvate |
| topic | crystal structure dihydrodipyrazolopyridine |
| url | https://journals.iucr.org/paper?S2056989025006152 |
| work_keys_str_mv | AT ngandingaza crystalstructureof435dimethyl17diphenyl17dihydrodipyrazolo34b43epyridin4ylphenoldimethylsulfoxidedisolvate AT erwannjeanneau crystalstructureof435dimethyl17diphenyl17dihydrodipyrazolo34b43epyridin4ylphenoldimethylsulfoxidedisolvate AT catherinemarestin crystalstructureof435dimethyl17diphenyl17dihydrodipyrazolo34b43epyridin4ylphenoldimethylsulfoxidedisolvate AT regismercier crystalstructureof435dimethyl17diphenyl17dihydrodipyrazolo34b43epyridin4ylphenoldimethylsulfoxidedisolvate |