Published June 22, 2013
| Version v1
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(2<i>E</i>)-1-(4-Bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one
- 1. Birla Institute of Technology and Science, Pilani - Goa Campus
- 2. King Abdulaziz University
- 3. University of Malaya
Description
The pyrazole ring in the title compound, C25H19BrN2O2, is almost planar (r.m.s. deviation = 0.003 Å) and forms dihedral angles of 7.56 (13) and 56.48 (13)° with the N- and C-bound benzene rings, respectively. The prop-2-en-1-one residue has an E conformation about the C=C double bond [1.328 (4) Å] and is almost coplanar with the pyrazole ring [C-C-C-C torsion angle = -174.4 (3)°]. A twist between the prop-2-en-1-one unit and the terminal benzene ring is evident [C-C-C-C torsion angle = -15.4 (4)°]. In the crystal, mol-ecules are consolidated into a three-dimensional architecture by C-H⋯O, C-H⋯π and π-π [centroid-centroid separation = 3.7597 (16) Å] inter-actions.
Translated Descriptions
⚠️
This is an automatic machine translation with an accuracy of 90-95%
Translated Description (Arabic)
حلقة البيرازول في مركب العنوان، C25H19BrN2O2، مستوية تقريبًا (انحراف الجذر التربيعي = 0.003 Å) وتشكل زوايا ثنائية السطوح 7.56 (13) و 56.48 (13) درجة مع حلقات البنزين المرتبطة بـ N و C، على التوالي. تحتوي بقايا prop -2 - en -1 - one على شكل E حول الرابطة المزدوجة C=C [1.328 (4) Å] وهي شبه مستوية مع حلقة البيرازول [C - C - C - c - c زاوية الالتواء = -174.4 (3) °]. يكون الالتواء بين وحدة prop -2 - en -1 - one وحلقة البنزين الطرفية واضحًا [C - C - C - c زاوية الالتواء = -15.4 (4) °]. في البلورة، يتم دمج جزيئات المول في بنية ثلاثية الأبعاد بواسطة تفاعلات C-H- O و C - H - π و π [فصل مركزي مركزي = 3.7597 (16) Å].Translated Description (English)
The pyrazole ring in the title compound, C25H19BrN2O2, is almost planar (r.m.s. deviation = 0.003 Å) and forms dihedral angles of 7.56 (13) and 56.48 (13) ° with the N- and C-bound benzene rings, respectively. The prop-2-en-1-one residue has an E conformation about the C=C double bond [1.328 (4) Å] and is almost coplanar with the pyrazole ring [C-C-C-c torsion angle = -174.4 (3) °]. A twist between the prop-2-en-1-one unit and the terminal benzene ring is evident [C-C-C-c torsion angle = -15.4 (4) °]. In the crystal, mol-ecules are consolidated into a three-dimensional architecture by C-H ∈ O, C-H ∈ π and π [centroid-centroid separation = 3.7597 (16) Å] inter-actions.Translated Description (French)
Le cycle pyrazole dans le composé du titre, C25H19BrN2O2, est presque planaire (déviation r.m.s. = 0,003 Å) et forme des angles diédriques de 7,56 (13) et 56,48 (13) ° avec les cycles benzéniques liés à N- et C, respectivement. Le résidu prop-2-én-1-one a une conformation E autour de la double liaison C=C [1.328 (4) Å] et est presque coplanaire avec le cycle pyrazole [angle de torsion C-C-C-c = -174.4 (3) °]. Une torsion entre l'unité prop-2-én-1-one et le cycle benzénique terminal est évidente [angle de torsion C-C-C-c = -15.4 (4) °]. Dans le cristal, les écules molaires sont consolidées en une architecture tridimensionnelle par des interactions C-H ∈ O, C-H ∈ π et π [séparation centroïde-centroïde = 3.7597 (16) Å].Translated Description (Spanish)
El anillo de pirazol en el compuesto del título, C25H19BrN2O2, es casi plano (desviación r.m.s. = 0.003 Å) y forma ángulos diedros de 7.56 (13) y 56.48 (13) ° con los anillos de benceno unidos a N y C, respectivamente. El residuo prop-2-en-1-ona tiene una conformación E alrededor del doble enlace C=C [1.328 (4) Å] y es casi coplanar con el anillo de pirazol [ángulo de torsión C-C-C-c = -174.4 (3) °]. Una torsión entre la unidad prop-2-en-1-ona y el anillo de benceno terminal es evidente [ángulo de torsión C-C-C-c = -15.4 (4) °]. En el cristal, las mol-éculas se consolidan en una arquitectura tridimensional mediante interacciones C-H ∈ O, C-H ∈ π y π [separación centroide-centroide = 3.7597 (16) Å].Files
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Additional details
Additional titles
- Translated title (Arabic)
- (2<i>E</i>) -1 -( 4 -بروموفينيل)-3-[ 3 -( 4 -ميثوكسي فينيل )-1<i></i> -فينيل-1 - H -بيرازول-4 -يل] prop -2 - en -1 - one
- Translated title (English)
- (2<i>E</i>) -1- (4-Bromophenyl) -3-[<i></i>3- (4-methoxyphenyl) -1-phenyl-1-H-pyrazol-4-yl] prop-2-en-1-one
- Translated title (French)
- (2<i>E</i>) -1- (4-Bromophényl) -3-[<i></i>3- (4-méthoxyphényl) -1-phényl-1-H-pyrazol-4-yl] prop-2-én-1-one
- Translated title (Spanish)
- (2<i>E</i>) -1- (4-Bromofenil) -3-[<i></i>3- (4-metoxifenil) -1-fenil-1-H-pirazol-4-il] prop-2-en-1-ona
Identifiers
- Other
- https://openalex.org/W2003945424
- DOI
- 10.1107/s1600536813016838
References
- https://openalex.org/W1607204353
- https://openalex.org/W1990170643
- https://openalex.org/W2031158103
- https://openalex.org/W2040553810
- https://openalex.org/W2073958882
- https://openalex.org/W2131350133
- https://openalex.org/W4242581506