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(7R)-6-Methyl-7,9-bis(prop-2-yn-1-yl)-7H,8H,9H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8-one

Youness El Bakri, Abdallah Harmaoui, Jihad Sebhaoui, Youssef Ramli, El Mokhtar Essassi, Joel T. Mague

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Abstract

In the title molecule, C12H11N5O, the seven-membered ring derived from triazepine adopts a boat conformation. Intermolecular C—H...N hydrogen bonds and C—H...π-ring interactions form columns of molecules parallel to theaaxis, which are further associated into the three-dimensional crystal structure by additional C—H...O hydrogen bonds.

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In the title molecule, C12H11N5O, the seven-membered ring derived from triazepine adopts a boat conformation. Intermolecular C—H...N hydrogen bonds and C—H...π-ring interactions form columns of molecules parallel to theaaxis, which are further associated into the three-dimensional crystal structure by additional C—H...O hydrogen bonds.

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Available abstract

In the title molecule, C12H11N5O, the seven-membered ring derived from triazepine adopts a boat conformation. Intermolecular C—H...N hydrogen bonds and C—H...π-ring interactions form columns of molecules parallel to theaaxis, which are further associated into the three-dimensional crystal structure by additional C—H...O hydrogen bonds.

Key concepts: Chemistry, Ring (chemistry), Hydrogen bond, Molecule, Crystal structure, Intermolecular force, Stereochemistry, Crystallography

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(7R)-6-Methyl-7,9-bis(prop-2-yn-1-yl)-7H,8H,9H-1,2,4-triazolo[4,3-b][1,2,4]triazepin-8-one — Research Paper | ScholarLens