Crystal Structure of N-(4-Methyl-pyridin-2-yl)-3-oxo-butyramide
The title compound, N-(4-methyl-pyridin-2-yl)-3-oxo-butyramide, C10H12N2O2, has been synthesized by condensing 2-amino-4-methylpyridine with ethylacetoacetate via microwave irradiation, and is one of the intermediates for the synthesis of pyrido[1,2-a]pyrimidin-2-one. The structure of the compound w...
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Veröffentlicht in: | X-ray Structure Analysis Online 2012, Vol.28, pp.73-74 |
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description | The title compound, N-(4-methyl-pyridin-2-yl)-3-oxo-butyramide, C10H12N2O2, has been synthesized by condensing 2-amino-4-methylpyridine with ethylacetoacetate via microwave irradiation, and is one of the intermediates for the synthesis of pyrido[1,2-a]pyrimidin-2-one. The structure of the compound was established by spectral analysis and X-ray diffraction studies. The compound crystallizes in the orthorhombic space group P212121 with unit-cell parameters: a = 6.187(3), b = 9.379(4), c = 17.210(8)Å, Z = 4. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data, and refined to R = 0.0527 for 1739 observed reflections. The pyridine ring is planar with a maximum deviation of 0.002(3)Å observed for the atom C3′. The crystal packing is dominated by N-H…O, C-H…O, C-H…N hydrogen bonds and C-H-π interactions, which link the molecules into infinite chains. |
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K. ; Rajnikant ; GUPTA, Vivek K.</creator><creatorcontrib>ANTHAL, Sumati ; DUTT, Prabhu ; SATTI, N. K. ; Rajnikant ; GUPTA, Vivek K.</creatorcontrib><description>The title compound, N-(4-methyl-pyridin-2-yl)-3-oxo-butyramide, C10H12N2O2, has been synthesized by condensing 2-amino-4-methylpyridine with ethylacetoacetate via microwave irradiation, and is one of the intermediates for the synthesis of pyrido[1,2-a]pyrimidin-2-one. The structure of the compound was established by spectral analysis and X-ray diffraction studies. The compound crystallizes in the orthorhombic space group P212121 with unit-cell parameters: a = 6.187(3), b = 9.379(4), c = 17.210(8)Å, Z = 4. The crystal structure was solved by direct methods using single-crystal X-ray diffraction data, and refined to R = 0.0527 for 1739 observed reflections. The pyridine ring is planar with a maximum deviation of 0.002(3)Å observed for the atom C3′. 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The pyridine ring is planar with a maximum deviation of 0.002(3)Å observed for the atom C3′. The crystal packing is dominated by N-H…O, C-H…O, C-H…N hydrogen bonds and C-H-π interactions, which link the molecules into infinite chains.</description><issn>1883-3578</issn><issn>1883-3578</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2012</creationdate><recordtype>article</recordtype><recordid>eNpdkM1LAzEQxYMoWKt3jwUvekjN126Sk8jiF1Q9qOcwmyZ2y7Zbk13o_vdGV6oIAzPw3m8ePIROKZkySvPLbYA-tqGz7ZSpqeR7aESV4phnUu3_uQ_RUYxLQnKdCTZCV0VIGNSTl2-2C27S-MkTPhf40bWLvsabPlTzao0Z7usLzHGzbXDZtX2AVTV3x-jAQx3dyc8eo7fbm9fiHs-e7x6K6xm2gqTkUltWKjKnGeWUCpnGSu29zWQGoJnUGbVMA4D3xALPZWZz8LYUILzSwMfobPi7Cc1H52Jrlk0X1inSUJGrnCihSXKRwWVDE2Nw3mxCtYLQG0rMV03mtybDlJE8IcWALFMN724HQGgrW7t_ABmonWoXEIxb80-3Q3Z1</recordid><startdate>2012</startdate><enddate>2012</enddate><creator>ANTHAL, Sumati</creator><creator>DUTT, Prabhu</creator><creator>SATTI, N. 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The crystal structure was solved by direct methods using single-crystal X-ray diffraction data, and refined to R = 0.0527 for 1739 observed reflections. The pyridine ring is planar with a maximum deviation of 0.002(3)Å observed for the atom C3′. The crystal packing is dominated by N-H…O, C-H…O, C-H…N hydrogen bonds and C-H-π interactions, which link the molecules into infinite chains.</abstract><cop>Tokyo</cop><pub>The Japan Society for Analytical Chemistry</pub><doi>10.2116/xraystruct.28.73</doi><tpages>2</tpages><oa>free_for_read</oa></addata></record> |
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title | Crystal Structure of N-(4-Methyl-pyridin-2-yl)-3-oxo-butyramide |
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