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Acta Crystallographica Section E
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Quinoxaline-2-carbonitrile

كينوكسالين-2 -كاربونيتريل
Authors: Hoong‐Kun Fun; Ching Kheng Quah; Annada C. Maity; Nirmal K. Das; Shyamaprosad Goswami;
Abstract

En el compuesto del título, C9H5N3, el anillo de quinoxalina es esencialmente plano, con una desviación máxima de 0.012 (1) Å. Las distancias intermoleculares cortas entre los centroides de los anillos de 2,3-dihidro-pirazina y benceno [3.6490 (5) Å] indicaron la existencia de interacciones π∗π. En el empaquetamiento cristalino, las moléculas están unidas a través de dos pares de interacciones intermoleculares C—H ¹ N, formando motivos anulares R22 (8) y R22 (10); estas moléculas están además unidas en una red bidimensional paralela a (1 0 2) a través de otra interacción C–H · N.

Dans le composé du titre, C9H5N3, le cycle quinoxaline est essentiellement planaire, avec une déviation maximale de 0,012 (1) Å. De courtes distances intermoléculaires entre les centroïdes descycles2,3-dihydro-pyrazine et benzène [3,6490 (5) Å] indiquent l'existence d'interactions π∗π. Dans le garnissage cristallin, les molécules sont liées via deux paires d'interactions C—H ¹ N inter-moléculaires, formant des motifs cycliques R22 (8) et R22 (10) ; ces molécules sont en outre liées dans un réseau bidimensionnel parallèle à (1 0 2) via une autre interaction C-H. N.

In the title compound, C9H5N3, the quinoxaline ring is essentially planar, with a maximum deviation of 0.012 (1) Å. Short inter­molecular distances between the centroids of the 2,3-dihydro­pyrazine and benzene rings [3.6490 (5) Å] indicated the existence of π∗π inter­actions. In the crystal packing, the mol­ ecules are linked via two pairs of inter­molecular C—H ¹ N inter­actions, forming R22 (8) and R22 (10) ring motifs; these mol­ ecules are further linked into a two ­ dimensional network parallel to (1 0 2) via another C–H · N inter­action.

In the title compound, C9H5N3, the quinoxaline ring is essentially planar, with a maximum deviation of 0.012 (1) Å. Short inter­molecular distances between the centroids of the 2,3-dihydro­pyrazine and benzene rings [3.6490 (5) Å] indicate the existence of π⋯π inter­actions. In the crystal packing, the mol­ecules are linked via two pairs of inter­molecular C—H⋯N inter­actions, forming R22 (8) and R22 (10) ring motifs; these mol­ecules are further linked into a two-dimensional network parallel to (1 0 2) via another C–H⋯N inter­action.

في مركب العنوان، C9H5N3، تكون حلقة الكينوكسالين مستوية بشكل أساسي، مع انحراف أقصى قدره 0.012 (1) Å. أشارت المسافات القصيرة بين الجزيئات بين المركزية لحلقات 2،3-ثنائي هيدرو بيرازين والبنزين [3.6490 (5) Å] إلى وجود π π π π inter­action. في التعبئة البلورية، ترتبط الجزيئات عبر زوجين من التفاعلات C - H ¹ N بين الجزيئات، مما يشكل زخارف حلقية R22 (8) و R22 (10) ؛ ترتبط هذه الجزيئات أيضًا في شبكة ثنائية الأبعاد موازية لـ (1 0 2) عبر تفاعل C - H · N آخر.

Keywords

FOS: Computer and information sciences, Quinoxaline, Bioinformatics, Organic chemistry, Crystal (programming language), Organic Papers, FOS: Chemical sciences, Stereochemistry, Synthesis and Biological Activities of Oxazolones, Biology, Heterocyclic Compounds for Drug Discovery, Crystallography, Computer graphics (images), Organic Chemistry, Benzene, Ring (chemistry), Computer science, Programming language, Chemistry, QD901-999, Physical Sciences, Planar, Synthesis and Biological Activities of Quinoxaline Derivatives, Pyrazine

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
5
Average
Average
Top 10%
Green
gold
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