Crystal structure and Hirshfeld surface analysis of (3Z)-7-methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3H)-one
In the title compound, C15H12N2O3, pairs of molecules are linked into dimers by N—H...O hydrogen bonds, forming an R22(12) ring motif, with the dimers stacked along the a axis. These dimers are connected through π–π stacking interactions between the centroids of the benzene and furan rings of their...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2021-09-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989021007891 |
| _version_ | 1798030676822327296 |
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| author | Zeliha Atioğlu Mehmet Akkurt Ulviyya F. Askerova Sevinc H. Mukhtarova Rizvan K. Askerov Sixberth Mlowe |
| author_facet | Zeliha Atioğlu Mehmet Akkurt Ulviyya F. Askerova Sevinc H. Mukhtarova Rizvan K. Askerov Sixberth Mlowe |
| author_sort | Zeliha Atioğlu |
| collection | DOAJ |
| description | In the title compound, C15H12N2O3, pairs of molecules are linked into dimers by N—H...O hydrogen bonds, forming an R22(12) ring motif, with the dimers stacked along the a axis. These dimers are connected through π–π stacking interactions between the centroids of the benzene and furan rings of their 2,3-dihydro-1-benzofuran ring systems. Furthermore, there exists a C—H...π interaction that consolidates the crystal packing. A Hirshfeld surface analysis indicates that the most important contacts are H...H (40.7%), O...H/H...O (24.7%), C...H/H...C (16.1%) and C...C (8.8%). |
| first_indexed | 2024-04-11T19:45:19Z |
| format | Article |
| id | doaj.art-bed38589cec34ac6aba43b32c51852a4 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T19:45:19Z |
| publishDate | 2021-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-bed38589cec34ac6aba43b32c51852a42022-12-22T04:06:33ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902021-09-0177990791110.1107/S2056989021007891wm5614Crystal structure and Hirshfeld surface analysis of (3Z)-7-methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3H)-oneZeliha Atioğlu0Mehmet Akkurt1Ulviyya F. Askerova2Sevinc H. Mukhtarova3Rizvan K. Askerov4Sixberth Mlowe5Department of Aircraft Electrics and Electronics, School of Applied Sciences, Cappadocia University, Mustafapaşa, 50420 Ürgüp, Nevşehir, TurkeyDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TurkeyOrganic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, AzerbaijanOrganic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, AzerbaijanOrganic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, AzerbaijanUniversity of Dar es Salaam, Dar es Salaam University College of Education, Department of Chemistry, PO Box 2329, Dar es Salaam, TanzaniaIn the title compound, C15H12N2O3, pairs of molecules are linked into dimers by N—H...O hydrogen bonds, forming an R22(12) ring motif, with the dimers stacked along the a axis. These dimers are connected through π–π stacking interactions between the centroids of the benzene and furan rings of their 2,3-dihydro-1-benzofuran ring systems. Furthermore, there exists a C—H...π interaction that consolidates the crystal packing. A Hirshfeld surface analysis indicates that the most important contacts are H...H (40.7%), O...H/H...O (24.7%), C...H/H...C (16.1%) and C...C (8.8%).http://scripts.iucr.org/cgi-bin/paper?S2056989021007891crystal structure2,3-dihydro-1-benzofuran ring systemdimershydrogen bondshirshfeld surface analysis |
| spellingShingle | Zeliha Atioğlu Mehmet Akkurt Ulviyya F. Askerova Sevinc H. Mukhtarova Rizvan K. Askerov Sixberth Mlowe Crystal structure and Hirshfeld surface analysis of (3Z)-7-methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3H)-one Acta Crystallographica Section E: Crystallographic Communications crystal structure 2,3-dihydro-1-benzofuran ring system dimers hydrogen bonds hirshfeld surface analysis |
| title | Crystal structure and Hirshfeld surface analysis of (3Z)-7-methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3H)-one |
| title_full | Crystal structure and Hirshfeld surface analysis of (3Z)-7-methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3H)-one |
| title_fullStr | Crystal structure and Hirshfeld surface analysis of (3Z)-7-methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3H)-one |
| title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of (3Z)-7-methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3H)-one |
| title_short | Crystal structure and Hirshfeld surface analysis of (3Z)-7-methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3H)-one |
| title_sort | crystal structure and hirshfeld surface analysis of 3z 7 methoxy 3 2 phenylhydrazinylidene 1 benzofuran 2 3h one |
| topic | crystal structure 2,3-dihydro-1-benzofuran ring system dimers hydrogen bonds hirshfeld surface analysis |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989021007891 |
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