Published December 3, 2008 | Version v1
Publication Open

<i>N</i>-[4-Acetyl-5-isobutyl-5-(2-<i>p</i>-tolylpropyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide ethyl acetate hemisolvate

Creators

  • 1. Instituto de Química Física Blas Cabrera
  • 2. Consejo Superior de Investigaciones Científicas

Description

The racemic title compound, a new terpenoid, C(20)H(29)N(3)O(2)S·0.5C(4)H(8)O(2), was synthesized from Cedrus Atlantica essential oil. The compound crystallizes with a disordered ethyl acetate solvent mol-ecule. The thia-diazole ring is almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å for the C atom connected to the isobutyl group and has a puckering amplitude of 0.026 (2) Å. The dihedral angle between the benzene and thia-diazole rings is 18.32 (8)°. The crystal packing involves inter-molecular N-H⋯O hydrogen bonds.

⚠️ This is an automatic machine translation with an accuracy of 90-95%

Translated Description (Arabic)

تم تصنيع مركب العنوان الراسيمي، وهو تربينويد جديد، C(20)H(29)N(3)O(2)S· 0.5C (4)H(8)O(2)، من زيت الأرز الأطلسي العطري. يتبلور المركب مع مول إيكول مذيب أسيتات الإيثيل المضطرب. حلقةثيا-ديازول مستوية تقريبًا، مع انحراف أقصى عن المستوى المتوسط 0.015 (2) Å لذرة C المتصلة بمجموعة الأيزوبوتيل ولها سعة تجعيد 0.026 (2) Å. تبلغ الزاوية الثنائية السطوح بين حلقتي البنزين وثيا ديازول 18.32 (8) درجة. تتضمن التعبئة البلورية روابط هيدروجينية N - H - O بين الجزيئات.

Translated Description (English)

The racemic title compound, a new terpenoid, C(20)H(29)N(3)O(2)S· 0.5C (4)H(8)O(2), was synthesized from Cedrus Atlantica essential oil. The compound crystallizes with a disordered ethyl acetate solventmol-ecule. The thia-diazoleringis almost planar, with a maximum deviation from the mean plane of 0.015 (2) Å for the C atom connected to the isobutyl group and has a puckering amplitude of 0.026 (2) Å. The dihedral angle between the benzene and thia-diazole rings is 18.32 (8) °. The crystal packing involves inter-molecularN-HO hydrogen bonds.

Translated Description (French)

Le composé du titre racémique, un nouveau terpénoïde, C(20)H(29)N(3)O(2)S· 0,5C (4)H (8) O(2), a été synthétisé à partir de l'huile essentielle de Cedrus Atlantica. Le composé cristallise avec un solvant d'acétate d'éthyle désordonné mol-écule. Le cyclethia-diazoleest presque plan, avec une déviation maximale par rapport au plan moyen de 0,015 (2) Å pour l'atome de C connecté au groupe isobutyle et a une amplitude de plissement de 0,026 (2) Å. L'angle dièdre entre les cycles benzène et thia-diazole est de 18,32 (8) °. Le garnissage cristallin implique des liaisons hydrogènes N-HO intermoléculaires.

Translated Description (Spanish)

El compuesto racémico del título, un nuevo terpenoide, C(20)H(29)N(3)O(2)S· 0.5C (4)H(8)O(2), se sintetizó a partir del aceite esencial de Cedrus Atlantica. El compuesto cristaliza con un disolvente de acetato de etilo desordenado mol-ecule. El anillo de tia-diazol es casi plano, con una desviación máxima del plano medio de 0.015 (2) Å para el átomo de C conectado al grupo isobutilo y tiene una amplitud de fruncimiento de 0.026 (2) Å. El ángulo diedro entre los anillos de benceno y tia-diazol es de 18,32 (8) °. El empaquetamiento cristalino implica enlaces de hidrógeno N-HO intermoleculares.

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Additional details

Additional titles

Translated title (Arabic)
<i>N -[ 4-</i> Acetyl -5 - isobutyl -5 -( 2 -<i></i> p - tolylpropyl )-4,5 - dihydro -1,3,4 - thiadiazol -2 - yl] acetamide ethyl acetate hemisolvate
Translated title (English)
<i>N-</i>[4-Acetyl-5-isobutyl-5- (2-p-tolylpropyl<i></i>) -4,5-dihydro-1,3,4-thiadiazol-2-yl] acetamide ethyl acetate hemisolvate
Translated title (French)
Hémisolvate d'acétate d'éthyle de<i></i><i> N-</i> [4-acétyl-5-isobutyl-5- (2-p-tolylpropyl) -4,5-dihydro-1,3,4-thiadiazol-2-yl] acétamide
Translated title (Spanish)
Hemisolvato de acetato de etilo de<i></i><i> N-</i> [4-acetil-5-isobutil-5- (2-p-tolilpropil) -4,5-dihidro-1,3,4-tiadiazol-2-il] acetamida

Identifiers

Other
https://openalex.org/W2265846083
DOI
10.1107/s1600536808039998

Is supplement to
https://openalex.org/W2302425389 (Other)
https://openalex.org/W2300113592 (Other)
https://openalex.org/W2290513315 (Other)
https://openalex.org/W2226595529 (Other)
https://openalex.org/W2225943213 (Other)
https://openalex.org/W2215299894 (Other)
https://openalex.org/W2015835705 (Other)
https://openalex.org/W2001555547 (Other)
https://openalex.org/W1970874095 (Other)
https://openalex.org/W129000474 (Other)

GreSIS Basics Section

Is Global South Knowledge
Yes
Country
Morocco

References

  • https://openalex.org/W1979396791
  • https://openalex.org/W1982414593
  • https://openalex.org/W2059020082
  • https://openalex.org/W2063334178
  • https://openalex.org/W2123229744
  • https://openalex.org/W2131350133
  • https://openalex.org/W2225943213