Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one
The asymmetric unit of the title compound, C13H14O3, contains two independent molecules, A and B, that are interconnected through an offset π–π interaction [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each molecule are essentially coplanar, having dihedral a...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014-11-01
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| Series: | Acta Crystallographica Section E |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814023678 |
| _version_ | 1819001629283713024 |
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| author | Samuel Estrada-Soto Amanda Sánchez-Recillas Gabriel Navarrete-Vázquez Hugo Tlahuext |
| author_facet | Samuel Estrada-Soto Amanda Sánchez-Recillas Gabriel Navarrete-Vázquez Hugo Tlahuext |
| author_sort | Samuel Estrada-Soto |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, C13H14O3, contains two independent molecules, A and B, that are interconnected through an offset π–π interaction [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each molecule are essentially coplanar, having dihedral angles of 1.22 (12) and 1.57 (12)° for molecules A and B, respectively. Similarly, the coumarin ring system and the 7-propoxy substituent are close to being coplanar [C—C—O—C torsion angles = 2.9 (2) and 1.4 (2)° for molecules A and B, respectively]. In the crystal, the molecules are connected by C—H...O hydrogen bonds, forming supramolecular tapes along [100] that are linked into a three-dimensional network by C—H...π interactions, as well as by the aforementioned π–π interactions. |
| first_indexed | 2024-12-20T22:52:15Z |
| format | Article |
| id | doaj.art-d66aeb8a12fc4233acc94a2cde3769da |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T22:52:15Z |
| publishDate | 2014-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-d66aeb8a12fc4233acc94a2cde3769da2022-12-21T19:24:13ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-11-01701145145310.1107/S1600536814023678tk5346Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-oneSamuel Estrada-Soto0Amanda Sánchez-Recillas1Gabriel Navarrete-Vázquez2Hugo Tlahuext3Facultad de Farmacia, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001 Col. Chamilpa CP 62100, Cuernavaca Mor., MéxicoFacultad de Farmacia, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001 Col. Chamilpa CP 62100, Cuernavaca Mor., MéxicoFacultad de Farmacia, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001 Col. Chamilpa CP 62100, Cuernavaca Mor., MéxicoCentro de Investigaciones Químicas, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001 Col., Chamilpa, CP 62100, Cuernavaca Mor., MéxicoThe asymmetric unit of the title compound, C13H14O3, contains two independent molecules, A and B, that are interconnected through an offset π–π interaction [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each molecule are essentially coplanar, having dihedral angles of 1.22 (12) and 1.57 (12)° for molecules A and B, respectively. Similarly, the coumarin ring system and the 7-propoxy substituent are close to being coplanar [C—C—O—C torsion angles = 2.9 (2) and 1.4 (2)° for molecules A and B, respectively]. In the crystal, the molecules are connected by C—H...O hydrogen bonds, forming supramolecular tapes along [100] that are linked into a three-dimensional network by C—H...π interactions, as well as by the aforementioned π–π interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536814023678crystal structurecoumarin derivativeoffset π–π interactionsC—H...O interactions |
| spellingShingle | Samuel Estrada-Soto Amanda Sánchez-Recillas Gabriel Navarrete-Vázquez Hugo Tlahuext Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one Acta Crystallographica Section E crystal structure coumarin derivative offset π–π interactions C—H...O interactions |
| title | Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one |
| title_full | Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one |
| title_fullStr | Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one |
| title_full_unstemmed | Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one |
| title_short | Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one |
| title_sort | crystal structure of 4 methyl 7 propoxy 2h chromen 2 one |
| topic | crystal structure coumarin derivative offset π–π interactions C—H...O interactions |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536814023678 |
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