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CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF 1-(PROP-2-YN-1-YL)-2,3-DIHYDRO-1H-1,3-BENZODIAZO-2-ONE
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نویسنده
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saber asmaa ,sebbar nada kheira ,hökelek tuncer ,ouzidan younes ,kandri rodi youssef ,elhafi mohamed ,mague joel t. ,essassi el mokhtar
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منبع
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journal marocain de chimie hétérocyclique - 2018 - دوره : 17 - شماره : 2 - صفحه:92 -101
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چکیده
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The dihydrobenzodiazolone skeleton of the title compound, c10h8n2o, is planar with the prop-2-ynyl substituent rotated well out of this plane. in the crystal, the molecules are linked via the pairs of the intermolecular n—hbnzdaz···odhybnzdaz (bnzdaz= benzodiazole and dhybnzdaz = dihydrobenzodiazolone) hydrogen bonds, forming inversion dimers with r2^2(8) ring motifs. the dimers form oblique stacks extending along the a-axis direction through the offset π-stacking interactions between the 5- and 6-membered rings with a centroid···centroid distance of 3.5634(11)å. the stacks are connected through c—hprpyl···odhybnzdaz (prpyl = prop-2-ynyl) hydrogen bonds. the hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from h ··· h (40.3%), h ··· c/c ··· h (31.5%), h ··· o/o ··· h (15.7%) and c ··· c (5.1%) interactions.
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کلیدواژه
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Crystal structure ,dihydrobenzodiazolone ,hydrogen bond ,π-stacking ,Hirshfeld surface
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آدرس
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université mohammed v, faculté des sciences, pôle de compétence pharmacochimie, laboratoire de chimie organique hétérocyclique urac 21, Morocco, université mohammed v, faculté des sciences, pôle de compétence pharmacochimie, laboratoire de chimie organique hétérocyclique urac 21, Morocco. université ibn zohr, faculté des sciences, laboratoire de chimie bioorganique appliquée, Morocco, hacettepe university, department of physics, turkey, université sidi mohamed ben abdallah, faculté des sciences et techniques, laboratoire de chimie organique appliquée, Morocco, université sidi mohamed ben abdallah, faculté des sciences et techniques, laboratoire de chimie organique appliquée, Morocco, université mohammed v, faculté des sciences, pôle de compétence pharmacochimie, laboratoire de chimie organique hétérocyclique urac 21, Morocco, tulane university, department of chemistry, USA, université mohammed v, faculté des sciences, pôle de compétence pharmacochimie, laboratoire de chimie organique hétérocyclique urac 21, Morocco. moroccan foundation for advanced science, innovation and research (mascir), Morocco
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Authors
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