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CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF 1,3-DIETHYL-5-NITRO-1H-BENZOIMIDAZOL-2(3H)-ONE
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نویسنده
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bouayad k. ,rodi y. kandri ,hökelek t. ,renard c. ,ouzidan y. ,haoudi a. ,akhazzane m. ,capet f. ,essassi e.m.
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منبع
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journal marocain de chimie hétérocyclique - 2019 - دوره : 18 - شماره : 1 - صفحه:33 -42
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چکیده
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The dihydrobenzodiazolone skeleton of the title compound, c11h13n3o3, is quite planar with the 1,3-diethyl substituents rotated well out of the dihydrobenzodiazolone mean plane. in the crystal, the molecules are linked via the intermolecular c—hbnzdaz···odhybnzdaz (bnzdaz = benzodiazole and dhybnzdaz = dihydrobenzodiazolone) hydrogen bonds, forming infinite chains along [101]. these chains are further linked by the π-stacking interactions between the 5- and 6-membered rings to stabilize the structure with centroid···centroid distances of 3.8624(10)å and 3.6721(9)å, respectively. the hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from h ··· h (44.3%), h ··· o/o ··· h (34.9%), c ··· c (6.2%) and h ··· c/c ··· h (5.8%) interactions. hydrogen bonding and van der waals interactions are the dominant interactions in the crystal packing.
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کلیدواژه
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Crystal structure;Benzimidazole; hydrogen bond; π-stacking; Hirshfeld surface
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آدرس
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université sidi mohamed ben abdallah, faculté des sciences et techniques, laboratoire de chimie de la matière condensée, laboratoire de chimie organique appliquée-chimie appliquée, Morocco, université sidi mohamed ben abdallah, faculté des sciences et techniques, laboratoire de chimie organique appliquée-chimie appliquée, Morocco, hacettepe university, department of physics, Turkey, hacettepe university, department of physics, Turkey, université sidi mohamed ben abdallah, faculté des sciences et techniques, laboratoire de chimie organique appliquée-chimie appliquée, Morocco, université sidi mohamed ben abdallah, faculté des sciences et techniques, laboratoire de chimie organique appliquée-chimie appliquée, Morocco, université sidi mohammed ben abdallah, Morocco, université lille, ecole nationale supérieure de chimie de lille, unité de catalyse et de chimie du solide (uccs), France, mohammed v university rabat, centre de recherche des sciences des médicaments, faculté des sciences, laboratoire de chimie organique hétérocyclique, Morocco
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Authors
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