
pmid: 21579723
pmc: PMC2979943
Dans le composé du titre, C(9)H(8)N(2)O(6), le groupe ester méthylique est presque planaire (déviation r.m.s. = 0,002 Å) et est orienté à un angle dièdre de 24,27 (16) ° par rapport au cycle benzénique. Les groupes nitro forment des angles dièdres de 4,2 (5) ° et 60,21 (11) ° avec le cycle benzénique. Dans le cristal, les mol-écules sont liées par des interactions C-H)O, ce qui donne des chaînes en zigzag.
En el compuesto del título, C(9)H(8)N(2)O(6), el grupo éster metílico es casi plano (desviación r.m.s. = 0.002 Å) y está orientado en un ángulo diedro de 24.27 (16) ° con respecto al anillo de benceno. Los grupos nitro forman ángulos diedros de 4.2 (5) ° y 60.21 (11) ° con el anillo de benceno. En el cristal, las mol-éculas están unidas por interacciones C-H)O, lo que resulta en cadenas en zigzag.
In the title compound, C(9)H(8)N(2)O(6), the methyl ester group is almost planar (r.m.s. deviation = 0.002 Å) and is oriented at a dihedral angle of 24.27 (16) ° with respect to the benzene ring. The nitro groups make dihedral angles of 4.2 (5) ° and 60.21 (11) ° with the benzene ring. In the crystal, mol-ecules are linked by C-H)O inter-actions, resulting in zigzag chains.
In the title compound, C(9)H(8)N(2)O(6), the methyl ester group is almost planar (r.m.s. deviation = 0.002 Å) and is oriented at a dihedral angle of 24.27 (16)° with respect to the benzene ring. The nitro groups make dihedral angles of 4.2 (5)° and 60.21 (11)° with the benzene ring. In the crystal, mol-ecules are linked by C-H⋯O inter-actions, resulting in zigzag chains.
في مركب العنوان، C(9)H(8)N(2)O(6)، تكون مجموعة إستر الميثيل مستوية تقريبًا (انحراف RMS = 0.002 Å) ويتم توجيهها بزاوية ثنائية السطوح تبلغ 24.27 (16) درجة فيما يتعلق بحلقة البنزين. تصنع مجموعات النيترو زوايا ثنائية السطوح من 4.2 (5) درجة و 60.21 (11) درجة مع حلقة البنزين. في البلورة، ترتبط جزيئات المول بتفاعلات C-H)O، مما يؤدي إلى سلاسل متعرجة.
FOS: Computer and information sciences, Bioinformatics, Geometry, Organic chemistry, Medicinal chemistry, Crystal (programming language), Organic Papers, Inorganic Chemistry, Zigzag, FOS: Chemical sciences, Biochemistry, Genetics and Molecular Biology, FOS: Mathematics, Molecular Biology, Biology, Heterocyclic Compounds for Drug Discovery, Alkyl, Hydrogen bond, Crystallography, Computer graphics (images), Organic Chemistry, Nitro, Molecule, Life Sciences, Benzene, Ring (chemistry), Computer science, Chemical Crystallography, Programming language, Hydrogen Bonding Interactions, Chemistry, QD901-999, Physical Sciences, Dihedral angle, Planar, Biological Activities of Phenothiazines and Related Compounds, Mathematics
FOS: Computer and information sciences, Bioinformatics, Geometry, Organic chemistry, Medicinal chemistry, Crystal (programming language), Organic Papers, Inorganic Chemistry, Zigzag, FOS: Chemical sciences, Biochemistry, Genetics and Molecular Biology, FOS: Mathematics, Molecular Biology, Biology, Heterocyclic Compounds for Drug Discovery, Alkyl, Hydrogen bond, Crystallography, Computer graphics (images), Organic Chemistry, Nitro, Molecule, Life Sciences, Benzene, Ring (chemistry), Computer science, Chemical Crystallography, Programming language, Hydrogen Bonding Interactions, Chemistry, QD901-999, Physical Sciences, Dihedral angle, Planar, Biological Activities of Phenothiazines and Related Compounds, Mathematics
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