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Acta Crystallographica Section E
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Acta Crystallographica Section E
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Other literature type . 2010
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https://dx.doi.org/10.60692/5v...
Other literature type . 2010
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Quinoline-2-carbonitrile–fumaric acid (1/0.5)

الكينولين - 2 - كاربونيتريل - حمض الفوماريك (1/0.5)
Authors: Wan-Sin Loh; Ching Kheng Quah; Madhukar Hemamalini; Hoong‐Kun Fun;

Quinoline-2-carbonitrile–fumaric acid (1/0.5)

Abstract

La unidad asimétrica del compuesto del título, C(10)H(6)N(2)·0.5C(4)H(4) O(4), consiste en un mol-ecule de quinolina-2-carbonitrilo y un mol-ecule medio de ácido fumárico, que se encuentra en un centro de inversión. La mol-ecula de quinolina-2-carbonitrilo es casi plana, con una desviación r.m.s. de 0.008 (1) Å. El ácido y la base están unidos entre sí a través de pares de enlaces de hidrógeno C-H½O y O-H½N intermoleculares, formando motivos de anillo R(2)(2) (8). En el cristal, las moléculas de carbonitrilo están unidas además por enlaces de hidrógeno C-HN intermoleculares, generando motivos de anillo R(2) (2)(10), lo que resulta en cadenas en zigzag que corren a lo largo del eje c.

L'unité asymétrique du composé du titre, C(10)H(6)N(2)·0,5C(4)H(4) O(4), se compose d'une molécule de quinoléine-2-carbonitrile et d'une demi-molécule d'acide fumarique, qui repose sur un centre d'inversion. La mol-écule de quinoléine-2-carbonitrile est presque plane, avec une déviation r.m.s. de 0,008 (1) Å. L'acide et la base sont liés ensemble via des paires de liaisons hydrogène intermoléculaires C-H½O et O-H½N, formant des motifs cycliques R(2)(2) (8). Dans le cristal, les molécules de carbonitrile sont en outre liées par des liaisons hydrogène C-HN intermoléculaires, générant des motifs cycliques R(2) (2)(10), résultant en des chaînes en zigzag s'étendant le long de l'axe c.

The asymmetric unit of the title compound, C(10)H(6)N(2)·0.5C(4)H(4)O(4), consists of one quinoline-2-carbonitrile mol-ecule and a half-mol-ecule of fumaric acid, which lies on an inversion center. The quinoline-2-carbonitrile mol-ecule is almost planar, with an r.m.s. deviation of 0.008 (1) Å. The acid and base are linked together via pairs of inter-molecular C-H⋯O and O-H⋯N hydrogen bonds, forming R(2) (2)(8) ring motifs. In the crystal, the carbonitrile mol-ecules are further linked by inter-molecular C-H⋯N hydrogen bonds, generating R(2) (2)(10) ring motifs, resulting in zigzag chains running along the c axis.

The asymmetric unit of the title compound, C(10)H(6)N(2)·0.5C(4)H(4)O(4), consists of one quinoline-2-carbonitrile mol-ecule and a half-mol-ecule of fumaric acid, which lies on an inversion center. The quinoline-2-carbonitrile mol-ecule is almost planar, with an r.m.s. deviation of 0.008 (1) Å. The acid and base are linked together via pairs of inter-molecular C-H½O and O-H½N hydrogen bonds, forming R(2) (2)(8) ring motifs. In the crystal, the carbonitrile mol-ecules are further linked by inter-molecular C-HN hydrogen bonds, generating R(2) (2)(10) ring motifs, resulting in zigzag chains running along the c axis.

تتكون الوحدة غير المتماثلة لمركب العنوان، C(10)H(6)N(2)·0.5C(4)H(4)O(4)، من مول- إيكول واحد من الكينولين-2 -كاربونيتريل ونصف مول- إيكول من حمض الفوماريك، الذي يقع على مركز الانقلاب. تكون جزيئات الكينولين-2 - كاربونيتريل مستوية تقريبًا، مع انحراف قدره 0.008 (1) Å. يرتبط الحمض والقاعدة معًا عبر أزواج من الروابط الهيدروجينية C - H½O و O - H½N بين الجزيئات، مما يشكل R(2) (2)(8) زخارف حلقية. في البلورة، ترتبط جزيئات مول الكربونيتريل بشكل أكبر بروابط هيدروجينية C - H -N بين الجزيئات، مما يولد زخارف حلقية R(2)(2) (10)، مما يؤدي إلى سلاسل متعرجة تمتد على طول المحور c.

Related Organizations
Keywords

Pharmacology, Organic Chemistry, Quinoline, Organic chemistry, Natural Products as Sources of New Drugs, Organic Papers, Fumaric acid, Chemical Crystallography, Inorganic Chemistry, Nuclear chemistry, Chemistry, FOS: Chemical sciences, Heterocyclic Compounds, Physical Sciences, Health Sciences, Medicine, Heterocyclic Compounds for Drug Discovery

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selected citations
These citations are derived from selected sources.
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!
8
Average
Top 10%
Top 10%
Green
gold