19 results on '"Akoun Abou"'
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2. Crystal structure of 2-oxo-2H-chromen-7-yl 4-fluorobenzoate
- Author
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Akoun Abou, Jules Yoda, Abdoulaye Djandé, Stéphane Coussan, and T. Jérémie Zoueu
- Subjects
coumarin ester ,C—H...O hydrogen bonds ,π–π stacking interactions ,Hirshfeld surface analysis ,quantum chemical calculations ,crystal structure ,Crystallography ,QD901-999 - Abstract
In the title compound, C16H9FO4, (I), the benzene ring is oriented at an acute angle of 59.03 (15)° relative to the coumarin plane (r.m.s deviation = 0.009 Å). This conformation of (I) is stabilized by an intramolecular C—H...O hydrogen bond, which closes a five-membering ring. In the crystal, molecules of (I) form infinite zigzag chains along the b-axis direction, linked by C—H...O hydrogen bonds. Furthermore, the crystal structure is supported by π–π stacking interactions between neighbouring pyrone and benzene or coumarin rings [centroid–centroid distances in the range 3.5758 (18)–3.6115 (16) Å], as well as C=O...π interactions [O...centroid distances in the range 3.266 (3)–3.567 (3) Å]. The theoretical data for (I) obtained from quantum chemical calculations are in good agreement with the observed structure, although the calculated C—O—C—C torsion angle between the coumarin fragment and the benzene ring (73.7°) is somewhat larger than the experimental value [63.4 (4)°]. Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions. more...
- Published
- 2018
- Full Text
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Catalog
3. 2-Oxo-2H-chromen-7-yl 4-tert-butylbenzoate
- Author
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Mohammad Ouédraogo, Akoun Abou, Abdoulaye Djandé, Olivier Ouari, and T. Jérémie Zoueu
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crystal structure ,C—H...O hydrogen bond ,coumarin ,Hirshfeld surface analysis ,quantum chemical calculations ,Crystallography ,QD901-999 - Abstract
In the title compound, C20H18O4, the benzoate ring is oriented at an acute angle of 33.10 (12)° with respect to the planar (r.m.s deviation = 0.016 Å) coumarin ring system. An intramolecular C—H...O hydrogen bond closes an S(6) ring motif. In the crystal, C—H...O contacts generate infinite C(6) chains along the b-axis direction. Also present are π–π stacking interactions between neighbouring pyrone and benzene rings [centroid–centroid distance = 3.7034 (18) Å] and C=O...π interactions [O...centroid = 3.760 (3) Å]. The data obtained from quantum chemical calculations performed on the title compound are in good agreement with the observed structure, although the calculated C—O—C—C torsion angle between the coumarin ring system and the benzoate ring (129.1°) is somewhat lower than the observed value [141.3 (3)°]. Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions. more...
- Published
- 2018
- Full Text
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4. Crystal structure of 3-(2-hydroxyethyl)-2-methylsulfanyl-6-nitro-3H-benzimidazol-1-ium chloride monohydrate
- Author
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Akoun Abou, Siomenan Coulibali, Rita Kakou-Yao, T. Jérémie Zoueu, and A. Jules Tenon
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crystal structure ,benzimidazole derivative ,hydrogen bonding ,π–π interactions ,Crystallography ,QD901-999 - Abstract
In the cation of the title hydrated molecular salt, C10H12N3O3S+·Cl−·H2O, the benzimidazolium ring system is almost planar (r.m.s. deviation = 0.006 Å) and the nitro group is inclined at an angle of 4.86 (9)° to this plane. In the crystal, C—H...O hydrogen bonds form centrosymmetric R22(20) dimers and these are further aggregated through N—H...O and O—H...Cl hydrogen bonds involving the water molecules and chloride anions. Aromatic π–π stacking interactions are also found between two parallel benzene rings or the benzene and imidazolium rings, with centroid–centroid distances of 3.5246 (9) and 3.7756 (9) Å, respectively. Analysis of the bond lengths and comparison with related compounds show that the nitro substituent is not involved in conjugation with the adjacent π-system and hence has no effect on the charge distribution of the heterocyclic ring. more...
- Published
- 2016
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5. 3-Hydroxy-3-methylisochroman-1-one–2-(carboxymethyl)benzoic acid (1/1)
- Author
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Akoun Abou, Ludovic Akonan, Frédérica Koblavi-Mansilla, Aka Joseph N'gouan, and Konan René Kambo
- Subjects
crystal structure ,1:1 co-crystal of 3-hydroxy-3-methylisochroman-1-one–2-(carboxymethyl)benzoic acid ,hydrogen bonding ,C—H...π(ring) interactions ,C=O...π(ring) interactions ,Crystallography ,QD901-999 - Abstract
The title co-crystalline compound, C10H10O3·C9H8O4, has been synthesized and characterized in a single-crystal X-ray diffraction study. In the 3-hydroxy-3-methylisochroman-1-one molecule, the six-membered heterocyclic ring lies between an envelope and a screw-boat conformation. In the 2-carboxymethylbenzoic acid, molecule, the 2-carboxymethyl substituent is almost planar (r.m.s deviation = 0.048 Å) and makes a dihedral angle of 79.59 (7)° with the planar benzene ring. In this molecule, intramolecular C—H...O contacts generate five- and six-membered rings, forming a tricyclic ring system. In the crystal, classical O—H...O and C—H...O hydrogen bonds combine with C—H...π(ring) and unusual C=O...π(ring) contacts to generate a three-dimensional network. more...
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- 2018
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6. 2-Oxo-2H-chromen-7-yl 4-methylbenzoate
- Author
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Abdoulaye Djandé, Akoun Abou, Félix Kini, Konan René Kambo, and Michel Giorgi
- Subjects
crystal structure ,C—H...O hydrogen bond ,coumarin ,Hirshfeld surface analysis ,Crystallography ,QD901-999 - Abstract
In the title compound, C17H12O4, the benzoate ring is oriented at an acute angle of 60.14 (13)° relative to the coumarin plane (r.m.s. deviation = 0.006 Å). This conformation is stabilized by an intramolecular C—H...O weak hydrogen bond, which forms a five-membered ring. Also present are π–π stacking interactions between neighbouring pyrone and benzene rings [centroid-to-centroid distances in the range 3.6286 (1)–3.6459 (1) Å] and C=O...π interactions [O...centroid distances in the range 3.2938 (1)–3.6132 (1) Å]. Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions. more...
- Published
- 2018
- Full Text
- View/download PDF
7. 2-Oxo-2H-chromen-4-yl 4-methylbenzoate
- Author
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Akoun Abou, Abdoulaye Djandé, Rita Kakou-Yao, Adama Saba, and Abodou Jules Tenon
- Subjects
Crystallography ,QD901-999 - Abstract
The asymmetric unit of the title compound, C17H12O4, consists of two independent molecules. The chromen-2-one ring and the 4-methylbenzoate side chain are inclined to one another at a dihedral angle of 64.79 (10)° in one molecule and 88.3 (1)° in the other. In the crystal, molecules form R22(8) centrosymmetric dimers via C—H...O hydrogen bonds. These dimers are stacked by C—H...O hydrogen bonds, resulting in R22(18) and R32(16) ring motifs. π–π stacking interactions between two parallel chromen-2-one rings, with centroid–centroid distances of 3.743 (1) and 3.771 (1) Å, are also present. more...
- Published
- 2013
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8. 2-Oxo-2H-chromen-4-yl propionate
- Author
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Yvon Bibila Mayaya Bisseyou, Akoun Abou, Abdoulaye Djandé, Grégoire Danger, and Rita Kakou-Yao
- Subjects
Crystallography ,QD901-999 - Abstract
In the title compound, C12H10O4, the atoms of the 2-oxo-2H-chromene ring system and the non-H atoms of the 4-substituent all lie on a crystallographic mirror plane. The molecular structure exhibits an intramolecular C—H...O hydrogen bond, which generates an S(6) ring. In the crystal, molecules form R32(12) trimeric units via C—H...O interactions which propagate into layers parallel to the ac plane. These layers are linked by weak C—H...O interactions along the [010] direction, generating a three-dimensional network. more...
- Published
- 2013
- Full Text
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9. 2-Oxo-2H-chromen-4-yl 4-methoxybenzoate
- Author
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Akoun Abou, Abdoulaye Djandé, Grégoire Danger, Adama Saba, and Rita Kakou-Yao
- Subjects
Crystallography ,QD901-999 - Abstract
In the title molecule, C17H12O5, the chromen-2-one ring and the 4-methoxybenzoate side chain are inclined to one another at a dihedral angle of 69.82 (9)°. The crystal structure features parallel sheets of centrosymmetric R22(6) dimers joined by a C(7) chain, resulting in centrosymetric tetramers of hydrogen-bonded molecules with graph-set motif R44(40). These centrosymetric tetramers are connected by a pair of hydrogen bonds described by an R22(8) ring motif and a C(7) chain via C—H...O interactions. In the structure, there are also π–π stacking interactions between chromene benzene and the six-membered heterocyclic rings [centroid–centroid distance = 3.691 (2) Å] and weak C=O...π interactions [O...(ring centroid) distance = 3.357 (3) Å]. more...
- Published
- 2012
- Full Text
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10. 2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoate
- Author
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Akoun Abou, Bintou Sessouma, Abdoulaye Djandé, Adama Saba, and Rita Kakou-Yao
- Subjects
Crystallography ,QD901-999 - Abstract
In the title molecule, C20H18O4, the three methyl groups of the tert-butyl substituent show rotational disorder. Each methyl group is split over three positions, with refined site-occupation factors of 0.711 (4), 0.146 (3) and 0.144 (4). The benzene ring of the benzoate group is oriented at a dihedral angle of 60.70 (7)° with respect to the planar chromene ring [maximum deviation = 0.046 (2) Å]. The crystal structure features centrosymmetric R22(8) dimers formed via C—H...O interactions, and these dimeric aggregates are connected by C—H...π interactions. more...
- Published
- 2012
- Full Text
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11. 4-[(Hydroxy)(4-methylphenyl)methylidene]isochroman-1,3-dione
- Author
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Akoun Abou, Abdoulaye Djandé, Adama Saba, Thierry Chiavassa, and Rita Kakou-Yao
- Subjects
Crystallography ,QD901-999 - Abstract
In the title compound, C17H12O4, the six-membered heterocyclic ring adopts a distorted screw-boat conformation. The molecular structure exhibits an S(6) ring motif, owing to an intramolecular O—H...O hydrogen bond. In the crystal, weak C—H...O contacts generate an infinite chain along the c axis. There are also π–π stacking interactions between neighbouring isochromanedione benzene rings, with a centroid–centroid distance of 3.755 (1) Å, and C—O...π interactions with an O...centroid distance of 3.964 (2) Å. more...
- Published
- 2012
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12. 4-[(4-Chlorophenyl)(hydroxy)methylidene]isochromane-1,3-dione
- Author
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Akoun Abou, Abdoulaye Djandé, Bintou Sessouma, Adama Saba, and Rita Kakou-Yao
- Subjects
Crystallography ,QD901-999 - Abstract
In the title compound, C16H9ClO4, the six-membered heterocyclic ring adopts a screw-boat conformation. The benzene rings are oriented to each other at a dihedral angle of 59.26 (9)°. The molecular structure exhibits a ring motif, viz. S(6), owing to an intramolecular O—H...O hydrogen bond. The presence of C—H...O contacts generates an infinite chain along [001]. Also present are π–π stacking interactions between neighbouring isochromanedione benzene rings [centroid–centroid distance = 3.746 (1) Å], and C—O...π interactions [O...centroid = 3.934 (2) Å]. more...
- Published
- 2011
- Full Text
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13. 2-Oxochromen-4-yl 4-(dimethylamino)benzoate
- Author
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Akoun Abou, Abdoulaye Djandé, Bintou Sessouma, Adama Saba, and Rita Kakou-Yao
- Subjects
Crystallography ,QD901-999 - Abstract
In the title molecule, C18H15NO4, the benzoate ring is oriented at a dihedral angle of 43.43 (6)° with respect to the planar [maximum deviation = 0.038 (2) Å] chromene ring. The crystal structure features R22(12) centrosymetric dimers formed via C—H...O interactions and these dimeric aggregates are connected by C—H...π interactions. more...
- Published
- 2011
- Full Text
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14. 2-[2-(Methylsulfanyl)benzimidazol-1-yl]ethanol
- Author
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Ludovic Akonan, Kouassi Yves Guillaume Molou, Adjo Adohi-Krou, Akoun Abou, and Abodou Jules Tenon
- Subjects
Crystallography ,QD901-999 - Abstract
In the title compound, C10H12N2OS, the asymmetric unit consists of two independent molecules. In the crystal structure, molecules form R44(28) centrosymmetric tetramers via O—H...N hydrogen bonds. These tetramers are stacked along the c axis via C—H...O hydrogen bonds. C—H...π and π–π interactions are also present; in the latter, the centroid–centroid distances are 4.075 (1) and 3.719 (1) Å. more...
- Published
- 2010
- Full Text
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15. 8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5H-1-oxa-2,4-diazaacenaphthylene
- Author
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Soro Yaya, Akoun Abou, Jérôme Marrot, Jean-Marie Coustard, and Fanté Bamba
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crystal structure ,Crystallography ,Chemistry ,02 engineering and technology ,Crystal structure ,021001 nanoscience & nanotechnology ,010403 inorganic & nuclear chemistry ,01 natural sciences ,Medicinal chemistry ,diazadihydroacenaphthylene derivative ,0104 chemical sciences ,QD901-999 ,hydrogen bonding and c—h...π interactions ,0210 nano-technology - Abstract
In the tricyclic title compound, C11H12N2OS, the 2,3,4,5-tetrahydropyridine ring adopts a half-chair conformation. This ring makes dihedral angles of 27.72 (7) and 45.17 (7)°, respectively, with the isoxazole and the cyclohexa-1,3-diene rings while the isoxazole ring is oriented at an acute angle of 63.46 (7)° with respect to the cyclohexa-1,3-diene ring. In the crystal, molecules associate via C—H...N hydrogen bonds and C—H...π interactions, forming a three-dimensional network. more...
- Published
- 2021
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16. 2-Oxo-2H-chromen-4-yl 4-meth-oxy-benzoate
- Author
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Abdoulaye Djandé, Akoun Abou, Adama Saba, Grégoire Danger, Rita Kakou-Yao, Physique des interactions ioniques et moléculaires (PIIM), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS), Université de Cocody, Université Ouagadougou [Université Ouagadougou], Aix Marseille Université (AMU), and Université Joseph Ki-Zerbo [Ouagadougou] (UJZK) more...
- Subjects
Crystallography ,Hydrogen bond ,Chemistry ,Stacking ,General Chemistry ,Crystal structure ,Dihedral angle ,010402 general chemistry ,010403 inorganic & nuclear chemistry ,Condensed Matter Physics ,Ring (chemistry) ,01 natural sciences ,Organic Papers ,3. Good health ,0104 chemical sciences ,chemistry.chemical_compound ,Chain (algebraic topology) ,QD901-999 ,Side chain ,[CHIM]Chemical Sciences ,General Materials Science ,Benzene - Abstract
In the title molecule, C17H12O5, the chromen-2-one ring and the 4-methoxybenzoate side chain are inclined to one another at a dihedral angle of 69.82 (9)°. The crystal structure features parallel sheets of centrosymmetric R22(6) dimers joined by a C(7) chain, resulting in centrosymetric tetramers of hydrogen-bonded molecules with graph-set motif R44(40). These centrosymetric tetramers are connected by a pair of hydrogen bonds described by an R22(8) ring motif and a C(7) chain via C—H...O interactions. In the structure, there are also π–π stacking interactions between chromene benzene and the six-membered heterocyclic rings [centroid–centroid distance = 3.691 (2) Å] and weak C=O...π interactions [O...(ring centroid) distance = 3.357 (3) Å]. more...
- Published
- 2012
- Full Text
- View/download PDF
17. 2-Oxo-2H-chromen-4-yl 4-tert-butylbenzoate
- Author
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Bintou Sessouma, Akoun Abou, Adama Saba, Rita Kakou-Yao, and Abdoulaye Djandé
- Subjects
Crystallography ,Chemistry ,QD901-999 ,General Materials Science ,General Chemistry ,Condensed Matter Physics ,Organic Papers ,Medicinal chemistry - Abstract
In the title molecule, C20H18O4, the three methyl groups of the tert-butyl substituent show rotational disorder. Each methyl group is split over three positions, with refined site-occupation factors of 0.711 (4), 0.146 (3) and 0.144 (4). The benzene ring of the benzoate group is oriented at a dihedral angle of 60.70 (7)° with respect to the planar chromene ring [maximum deviation = 0.046 (2) Å]. The crystal structure features centrosymmetric R22(8) dimers formed via C—H...O interactions, and these dimeric aggregates are connected by C—H...π interactions. more...
- Published
- 2012
18. 2-Oxochromen-4-yl 4-(dimethylamino)benzoate
- Author
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Bintou Sessouma, Abdoulaye Djandé, Akoun Abou, Rita Kakou-Yao, and Adama Saba
- Subjects
Crystallography ,QD901-999 ,Chemistry ,Maximum deviation ,General Materials Science ,General Chemistry ,Crystal structure ,Dihedral angle ,Condensed Matter Physics ,Ring (chemistry) ,Bioinformatics ,Organic Papers - Abstract
In the title molecule, C18H15NO4, the benzoate ring is oriented at a dihedral angle of 43.43 (6)° with respect to the planar [maximum deviation = 0.038 (2) Å] chromene ring. The crystal structure features R22(12) centrosymetric dimers formed via C—H...O interactions and these dimeric aggregates are connected by C—H...π interactions. more...
- Published
- 2011
- Full Text
- View/download PDF
19. 4-[(4-Chlorophenyl)(hydroxy)methylidene]isochromane-1,3-dione
- Author
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Adama Saba, Abdoulaye Djandé, Bintou Sessouma, Rita Kakou-Yao, and Akoun Abou
- Subjects
Crystallography ,Hydrogen bond ,Stacking ,General Chemistry ,Dihedral angle ,Condensed Matter Physics ,Bioinformatics ,Ring (chemistry) ,Organic Papers ,chemistry.chemical_compound ,chemistry ,QD901-999 ,General Materials Science ,Benzene - Abstract
In the title compound, C16H9ClO4, the six-membered heterocyclic ring adopts a screw-boat conformation. The benzene rings are oriented to each other at a dihedral angle of 59.26 (9)°. The molecular structure exhibits a ring motif, viz. S(6), owing to an intramolecular O—H...O hydrogen bond. The presence of C—H...O contacts generates an infinite chain along [001]. Also present are π–π stacking interactions between neighbouring isochromanedione benzene rings [centroid–centroid distance = 3.746 (1) Å], and C—O...π interactions [O...centroid = 3.934 (2) Å]. more...
- Published
- 2011
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