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authorMartin Czygan <martin.czygan@gmail.com>2021-03-21 01:17:38 +0100
committerMartin Czygan <martin.czygan@gmail.com>2021-03-21 01:17:38 +0100
commit09a7e8c9d013f13a1aa1ef4e9b7f397647b79967 (patch)
tree122b474e27afbc66cba1182e983ef5c8555ed12f /skate/testdata/release/3qrr7truzbfzfpsglzsfzeymxe
parenta7e0cf191ebf8fb499e0ab9a3b6cae45727f1286 (diff)
downloadrefcat-09a7e8c9d013f13a1aa1ef4e9b7f397647b79967.tar.gz
refcat-09a7e8c9d013f13a1aa1ef4e9b7f397647b79967.zip
initial import of skate
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+{
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+ "content": "<jats:p>In the title compound, C<jats:sub>14</jats:sub>H<jats:sub>18</jats:sub>N<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>S, the piperidine ring has a chair conformation. Its mean plane is twisted with respect to the 4-methoxybenzoyl ring, with a dihedral angle of 63.0 (3)°. The central N—C(=S)—N(H)—C(=O) bridge is twisted with an N—C—N—C torsion angle of 74.8 (6)°. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds, forming chains along the <jats:italic>c</jats:italic>-axis direction. Adjacent chains are linked by C—H...π interactions, forming layers parallel to the <jats:italic>ac</jats:italic> plane. The layers are linked by offset π–π interactions [intercentroid distance = 3.927 (3) Å], forming a supramolecular three-dimensional structure.</jats:p>",
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+ "title": "Crystal structure of 4-methoxy-N-(piperidine-1-carbonothioyl)benzamide",
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