
pmid: 21837101
pmc: PMC3151812
Le composé du titre {nom systématique : 7-méthoxy-6- [(1R,2R,5R)-5-méthyl-4-oxo-3,6-dioxabicyclo-[3.1.0]hexan-2-yl]-2H-chromén-2-one}, C(15)H(12)O(6), est une coumarine, qui a été isolée à partir des racines de Micromelum glanduliferum. Il y a deux mol-écules dans l'unité asymétrique avec de légères différences dans les angles de liaison. Dans les deux mol-écules, le cycle furanique adopte une conformation d'enveloppe aplatie. Dans le cristal, les mol-écules sont liées par de faibles interactions C-H 0 en chaînes le long de l'axe a. Des interactions d'empilement π-π aromatiques avec des distances centroïde-centroïde dans la plage 3,6995 (11) -3,8069 (11) Å et des contacts courts C " O [3,030 (2)-3,171 (3) Å] se produisent également.
El compuesto del título {nombre sistemático:7-metoxi-6- [(1R,2R,5R) -5-metil-4-oxo-3,6-dioxabiciclo- [3.1.0]hexan-2-il]-2H-cromen-2-ona}, C(15)H(12)O(6), es una cumarina, que se aisló de las raíces de Micromelum glanduliferum. Hay dos mol-éculas en la unidad asimétrica con ligeras diferencias en los ángulos de enlace. En ambas mol-éculas, el anillo de furano adopta una conformación de envoltura aplanada. En el cristal, las mol-éculas están unidas por interacciones débiles de C-H O en cadenas a lo largo del eje a. También se producen interacciones aromáticas de apilamiento π-π con distancias centroide-centroide en el rango de 3,6995 (11) -3,8069 (11) Å y contactos cortos [3,030 (2) -3,171 (3) Å].
The title compound {systematic name: 7-meth-oxy-6-[(1R,2R,5R)-5-methyl-4-oxo-3,6-dioxabicyclo-[3.1.0]hexan-2-yl]-2H-chromen-2-one}, C(15)H(12)O(6), is a coumarin, which was isolated from the roots of Micromelum glanduliferum. There are two mol-ecules in the asymmetric unit with slight differences in bond angles. In both mol-ecules, the furan ring adopts a flattened envelope conformation. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions into chains along the a axis. Aromatic π-π stacking inter-actions with centroid-centroid distances in the range 3.6995 (11)-3.8069 (11) Å and C⋯O short contacts [3.030 (2)-3.171 (3) Å] also occur.
المركب الرئيسي {systematic name: 7 - meth - oxy -6 -[( 1R ,2R,5R)-5 - methyl -4 - oxo -3,6 - dioxabicyclo -[ 3.1.0] hexan -2 - yl ]-2H - chromen -2 - one}, C(15)H (12) O(6), is a coumarin, which was isolated from the roots of Micromelum glanduliferum. هناك نوعان من جزيئات المول في الوحدة غير المتماثلة مع اختلافات طفيفة في زوايا الرابطة. في كل من جزيئات المول، تتبنى حلقة الفيوران شكل مغلف مسطح. في البلورة، ترتبط جزيئات المول بتفاعلات C -H - O الضعيفة في سلاسل على طول المحور. تحدث أيضًا تفاعلات التراص العطرية π - π مع مسافات مركزية مركزية في النطاق 3.6995 (11) -3.8069 (11) Å و C o اتصالات قصيرة [3.030 (2) -3.171 (3) Å].
FOS: Computer and information sciences, Bioinformatics, Microwave-Assisted Synthesis, Geometry, Organic chemistry, Crystal (programming language), Organic Papers, FOS: Chemical sciences, Stereochemistry, Health Sciences, FOS: Mathematics, Furan, Absolute configuration, Synthesis and Biological Activities of Oxazolones, Biology, Pharmacology, Envelope (radar), Crystallography, Radar, Chemical Glycobiology and Therapeutic Applications, Organic Chemistry, Ring (chemistry), Centroid, Computer science, Programming language, Chemistry, Stacking, QD901-999, Chromones and Flavonoids in Medicinal Chemistry, Physical Sciences, Telecommunications, Medicine, Mathematics
FOS: Computer and information sciences, Bioinformatics, Microwave-Assisted Synthesis, Geometry, Organic chemistry, Crystal (programming language), Organic Papers, FOS: Chemical sciences, Stereochemistry, Health Sciences, FOS: Mathematics, Furan, Absolute configuration, Synthesis and Biological Activities of Oxazolones, Biology, Pharmacology, Envelope (radar), Crystallography, Radar, Chemical Glycobiology and Therapeutic Applications, Organic Chemistry, Ring (chemistry), Centroid, Computer science, Programming language, Chemistry, Stacking, QD901-999, Chromones and Flavonoids in Medicinal Chemistry, Physical Sciences, Telecommunications, Medicine, Mathematics
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