In the title compound, C18H18N2O2, the pyrazole ring has a

twisted conformation on the CH—CH2 bond. The tolyl ring

and the 4-methoxyphenyl ring are inclined to the mean plane

of the pyrazole ring by 4.40 (9) and 86.22 (9)�, respectively,

while the two aromatic rings are inclined to one another by

88.75 (9)�. In the crystal, molecules are linked via bifurcated

C—H� � �(O,O) hydrogen bonds and C—H� � �� interactions,

forming sheets lying parallel to the ab plane

Adam, Farook

Ameram, Nadiah

Narayana, Badiadka

Samshuddin, Seranthimata

Shruthi, Shruthi

Acta Crystallographica Section E Crystallographic Communications

PubMed

In the title compound, C18H18N2O2, the pyrazole ring has a twisted conformation on the CH—CH2 bond. The tolyl ring and the 4-methoxyphenyl ring are inclined to the mean plane of the pyrazole ring by 4.40 (9) and 86.22 (9)°, respectively, while the two aromatic rings are inclined to one another by 88.75 (9)°. In the crystal, molecules are linked via bifurcated C—H...(O,O) hydrogen bonds and C—H...π interactions, forming sheets lying parallel to the ab plane

Farook Adam

Seranthimata Samshuddin

Shruthi

Badiadka Narayana

Nadiah Ameram

Directory of Open Access Journals

Crystal structure of 5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde

Repository@USM

Crystal structure of 5-(4-methoxyphen-yl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehydeFarook Adam,a* Seranthimata Samshuddin,b Shruthi,bBadiadka Narayanac and Nadiah AmeramaaSchool of Chemical Sciences, Universiti Sains Malaysia, 18000 Pulau Pinang,Malaysia, bDepartment of P.G. Studies in Chemistry, Alva’s College, Moodbidri,Karnataka 574 227, India, and cDepartment of Studies in Chemistry, MangaloreUniversity, Mangalagangotri, Karnataka 574 227, India. *Correspondence e-mail:farook@usm.myReceived 8 December 2015; accepted 9 December 2015Edited by H. Stoeckli-Evans, University of Neuchaˆtel, SwitzerlandIn the title compound, C18H18N2O2, the pyrazole ring has atwisted conformation on the CH—CH2 bond. The tolyl ringand the 4-methoxyphenyl ring are inclined to the mean planeof the pyrazole ring by 4.40 (9) and 86.22 (9), respectively,while the two aromatic rings are inclined to one another by88.75 (9). In the crystal, molecules are linked via bifurcatedC—H  (O,O) hydrogen bonds and C—H   interactions,forming sheets lying parallel to the ab plane.Keywords: crystal structure; pyrazole; hydrogen bonding.CCDC reference: 14414911. Related literatureFor examples of the numerous pharmacological activities ofpyrazoles, see: Samshuddin et al. (2012); Sarojini et al. (2010).For the use of 1,3,5-triaryl-2-pyrazolines as scintillationsolutes, see: Wiley et al. (1958); and as fluorescent agents, see:Lu et al. (1999). For the crystal structures of pyrazoline-derived chalcones, see: Jasinski et al. (2012); Baktır et al.(2011).2. Experimental2.1. Crystal dataC18H18N2O2Mr = 294.34Monoclinic, Cca = 12.0839 (9) A˚b = 6.4197 (5) A˚c = 19.7427 (18) A˚ = 104.8264 (12)V = 1480.5 (2) A˚3Z = 4Mo K radiation = 0.09 mm1T = 100 K0.41  0.23  0.11 mm2.2. Data collectionBruker APEXII CCDdiffractometerAbsorption correction: multi-scan(SADABS; Bruker, 2010)Tmin = 0.919, Tmax = 0.96514663 measured reflections4301 independent reflections4070 reflections with I > 2(I)Rint = 0.0232.3. RefinementR[F 2 > 2(F 2)] = 0.036wR(F 2) = 0.097S = 1.054301 reflections201 parameters2 restraintsH-atom parameters constrainedmax = 0.28 e A˚3min = 0.19 e A˚3Table 1Hydrogen-bond geometry (A˚, ).Cg2 is the centroid of the C1–C6 ring.D—H  A D—H H  A D  A D—H  AC1—H1A  O2i 0.95 2.39 3.207 (2) 144C14—H14A  O2ii 0.95 2.57 3.477 (2) 160C15—H15A  Cg2iii 0.95 2.78 3.661 (2) 154Symmetry codes: (i) x; y þ 1; z; (ii) xþ 12; y þ 32; z; (iii) xþ 12; yþ 12; z.Data collection: APEX2 (Bruker, 2010); cell refinement: SAINT(Bruker, 2010); data reduction: SAINT; program(s) used to solvestructure: SHELXS97 (Sheldrick 2008); program(s) used to refinestructure: SHELXL2014 (Sheldrick, 2015); molecular graphics:SHELXTL (Sheldrick 2008); software used to prepare material forpublication: SHELXTL.AcknowledgementsSS thanks Alva’s Education Foundation, Moodbidri, forproviding research facilities. FA is grateful for USM researchgrants 1001/PKIMIA/846017 and 1001/PKIMIA/811269,which partially supported this research.data reportsActa Cryst. (2015). E71, o1093–o1094 doi:10.1107/S2056989015023658 Adam et al. o1093ISSN 2056-9890Supporting information for this paper is available from the IUCrelectronic archives (Reference: SU5259).ReferencesBaktır, Z., Akkurt, M., Samshuddin, S., Narayana, B. & Yathirajan, H. S.(2011). Acta Cryst. E67, o1292–o1293.Bruker (2010). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison,Wisconsin, USA.Jasinski, J. P., Golen, J. A., Samshuddin, S., Narayana, B. & Yathirajan, H. S.(2012). Crystals, 2, 1108–1115.Lu, Z.-Y., Zhu, W.-G., Jiang, Q. & Xie, M.-G. (1999). Chin. Chem. Lett. 10, 679–682.Samshuddin, S., Narayana, B., Sarojini, B. K., Khan, M. T. H., Yathirajan, H. S.,Raj, C. G. D. & Raghavendra, R. (2012). Med. Chem. Res. 21, 2012–2022.Sarojini, B. K., Vidyagayatri, M., Darshanraj, C. G., Bharath, B. R. &Manjunatha, H. (2010). Lett. Drug. Des. Discov. 7, 214–224.Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.Sheldrick, G. M. (2015). Acta Cryst. C71, 3–8.Wiley, R. H., Jarboe, C. H., Hayes, F. N., Hansbury, E., Nielsen, J. T., Callahan,P. X. & Sellars, M. (1958). J. Org. Chem. 23, 732–738.data reportso1094 Adam et al.  C18H18N2O2 Acta Cryst. (2015). E71, o1093–o1094supporting informationsup-1Acta Cryst. (2015). E71, o1093–o1094    supporting informationActa Cryst. (2015). E71, o1093–o1094    [https://doi.org/10.1107/S2056989015023658]Crystal structure of 5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehydeFarook Adam, Seranthimata Samshuddin, Shruthi, Badiadka Narayana and Nadiah AmeramS1. Comment Pyrazoline derivatives exhibit numerous pharmacological activities including antioxidant, antiamoebic, anti-inflammatory, analgesic, antimicrobial, antidepressant and anticancer activities (Sarojini et al., 2010; Samshuddin et al., 2012). Many 1,3,5-triaryl-2-pyrazolines have also been used as scintillation solutes (Wiley et al., 1958) and as fluorescent agents (Lu et al., 1999).The crystal structures of some pyrazolines containing an N-alkyl chain, viz. 3,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1 carbaldehyde (Baktır et al., 2011), 3,5-bis(4-fluorophenyl)-4,5-dihydro- 1H-pyrazole-1-carboxamide and 3,5-bis(4-fluorophenyl)-4,5-dihydro- 1H-pyrazole-1-carbothioamide (Jasinski et al., 2012) have been reported. In view of the importance of pyrazolines, the title compound was synthesized and we report herein on its crystal structure.The molecular structure of the title compound is illustrated in Fig. 1. The pyrazole ring has a twisted conformation on bond C7—C8. The toluyl ring and the 4-methoxyphenyl ring are inclined to the mean plane of the pyrazole ring by 4.40 (9) and 86.22 (9) °, respectively. The two aromatic rings are inclined to one another by 88.75 (9) °.In the crystal, molecules are linked via C—H···O hydrogen bonds and C—H···π interactions forming sheets lying parallel to the ab plane (Table 1 and Fig. 2). S2. Synthesis and crystallization A mixture of (2E)-3-(4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one (2.52 g, 0.01 mol) and hydrazine hydrate (1 ml) in 30 ml formic acid was refluxed for 6 h. The reaction mixture was cooled and poured into 50 ml ice-cold water. The precipitate was collected by filtration and purified by recrystallization from ethanol. Single crystals were grown from toluene by slow evaporation of the solvent (yield: 75 %; m.p. 479-482 K). S3. Refinement Crystal data, data collection and structure refinement details are summarized in Table 2. The hydrogen atoms were fixed geometrically (C—H = 0.95–1.00 Å) and allowed to ride on their parent atoms with Uiso(H) = 1.5Ueq(C-methyl) and 1.2Ueq(C) for other H atoms. supporting informationsup-2Acta Cryst. (2015). E71, o1093–o1094    Figure 1A view of the molecular structure of the title compound, with atom labelling. Displacement ellipsoids are drawn at the 50 % probability level. Figure 2A view along the ab axis of the crystal packing of the title compound. Hydrogen bonds are shown as dashed lines (see Table 1). 5-(4-Methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde Crystal data C18H18N2O2Mr = 294.34Monoclinic, Cca = 12.0839 (9) Åb = 6.4197 (5) Åc = 19.7427 (18) Åβ = 104.8264 (12)°V = 1480.5 (2) Å3Z = 4F(000) = 624Dx = 1.321 Mg m−3Mo Kα radiation, λ = 0.71073 ÅCell parameters from 6705 reflectionsθ = 3.5–30.2°supporting informationsup-3Acta Cryst. (2015). E71, o1093–o1094    µ = 0.09 mm−1T = 100 KBlock, colourless0.41 × 0.23 × 0.11 mmData collection Bruker APEXII CCD diffractometerφ and ω scansAbsorption correction: multi-scan (SADABS; Bruker, 2010)Tmin = 0.919, Tmax = 0.96514663 measured reflections4301 independent reflections4070 reflections with I > 2σ(I)Rint = 0.023θmax = 30.2°, θmin = 2.1°h = −17→17k = −9→9l = −27→27Refinement Refinement on F2Least-squares matrix: fullR[F2 > 2σ(F2)] = 0.036wR(F2) = 0.097S = 1.054301 reflections201 parameters2 restraintsPrimary atom site location: structure-invariant direct methodsSecondary atom site location: difference Fourier mapHydrogen site location: inferred from neighbouring sitesH-atom parameters constrainedw = 1/[σ2(Fo2) + (0.0604P)2 + 0.3156P] where P = (Fo2 + 2Fc2)/3(Δ/σ)max < 0.001Δρmax = 0.28 e Å−3Δρmin = −0.19 e Å−3Special details Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) x y z Uiso*/UeqO1 0.20348 (12) 0.4331 (2) 0.35129 (8) 0.0248 (3)O2 0.54286 (12) −0.1313 (2) 0.56436 (8) 0.0229 (3)N1 0.64240 (13) 0.1726 (2) 0.58103 (8) 0.0167 (3)N2 0.68881 (12) 0.3318 (2) 0.62747 (8) 0.0164 (3)C1 0.49214 (15) 0.4726 (3) 0.46209 (9) 0.0179 (3)H1A 0.5393 0.5782 0.4884 0.022*C2 0.38193 (16) 0.5207 (3) 0.42425 (9) 0.0189 (3)H2A 0.3543 0.6591 0.4246 0.023*C3 0.31110 (15) 0.3672 (3) 0.38556 (9) 0.0186 (3)C4 0.35270 (16) 0.1650 (3) 0.38360 (9) 0.0199 (4)H4A 0.3059 0.0603 0.3566 0.024*C5 0.46443 (15) 0.1188 (3) 0.42203 (9) 0.0187 (3)H5A 0.4930 −0.0187 0.4208 0.022*C6 0.53452 (15) 0.2698 (3) 0.46190 (9) 0.0168 (3)C7 0.65113 (15) 0.2100 (3) 0.50826 (9) 0.0171 (3)H7A 0.6815 0.0838 0.4894 0.021*C8 0.74108 (15) 0.3870 (3) 0.52205 (10) 0.0191 (3)H8A 0.8174 0.3345 0.5204 0.023*supporting informationsup-4Acta Cryst. (2015). E71, o1093–o1094    H8B 0.7182 0.5012 0.4876 0.023*C9 0.74102 (14) 0.4580 (3) 0.59498 (9) 0.0153 (3)C10 0.79896 (14) 0.6448 (2) 0.62925 (9) 0.0151 (3)C11 0.79596 (15) 0.6957 (3) 0.69768 (9) 0.0178 (3)H11A 0.7553 0.6091 0.7220 0.021*C12 0.85202 (15) 0.8719 (3) 0.73026 (10) 0.0191 (3)H12A 0.8487 0.9049 0.7766 0.023*C13 0.91324 (14) 1.0015 (3) 0.69604 (10) 0.0181 (3)C14 0.91505 (14) 0.9520 (3) 0.62759 (9) 0.0180 (3)H14A 0.9554 1.0394 0.6033 0.022*C15 0.85852 (14) 0.7760 (3) 0.59414 (9) 0.0171 (3)H15A 0.8604 0.7451 0.5474 0.020*C16 0.12863 (18) 0.2852 (4) 0.30873 (12) 0.0300 (4)H16A 0.0551 0.3519 0.2871 0.045*H16B 0.1163 0.1682 0.3378 0.045*H16C 0.1631 0.2340 0.2720 0.045*C17 0.58798 (15) 0.0120 (3) 0.60245 (10) 0.0191 (3)H17A 0.5844 0.0099 0.6500 0.023*C18 0.97566 (17) 1.1908 (3) 0.73207 (11) 0.0236 (4)H18A 1.0484 1.2064 0.7192 0.035*H18B 0.9906 1.1740 0.7829 0.035*H18C 0.9285 1.3151 0.7174 0.035*Atomic displacement parameters (Å2) U11 U22 U33 U12 U13 U23O1 0.0198 (6) 0.0266 (7) 0.0257 (7) 0.0009 (5) 0.0014 (5) −0.0011 (5)O2 0.0226 (6) 0.0158 (6) 0.0292 (7) −0.0031 (5) 0.0044 (5) −0.0006 (5)N1 0.0171 (7) 0.0156 (6) 0.0168 (7) −0.0029 (5) 0.0032 (5) −0.0016 (5)N2 0.0152 (6) 0.0153 (6) 0.0171 (7) −0.0010 (5) 0.0015 (5) −0.0010 (5)C1 0.0205 (8) 0.0170 (7) 0.0171 (8) −0.0034 (6) 0.0063 (6) −0.0027 (6)C2 0.0227 (8) 0.0171 (7) 0.0177 (8) 0.0006 (6) 0.0068 (6) −0.0008 (6)C3 0.0182 (8) 0.0226 (8) 0.0154 (7) −0.0009 (6) 0.0050 (6) 0.0007 (6)C4 0.0205 (9) 0.0202 (8) 0.0177 (8) −0.0050 (6) 0.0028 (7) −0.0028 (6)C5 0.0213 (8) 0.0164 (7) 0.0185 (8) −0.0016 (6) 0.0051 (7) −0.0024 (6)C6 0.0183 (8) 0.0171 (7) 0.0154 (8) −0.0030 (6) 0.0051 (6) −0.0022 (6)C7 0.0158 (7) 0.0180 (8) 0.0176 (8) −0.0022 (6) 0.0045 (6) −0.0028 (6)C8 0.0166 (7) 0.0212 (8) 0.0202 (8) −0.0049 (6) 0.0063 (6) −0.0034 (6)C9 0.0131 (7) 0.0156 (7) 0.0163 (8) −0.0002 (6) 0.0022 (6) −0.0016 (6)C10 0.0120 (7) 0.0139 (7) 0.0182 (8) 0.0003 (5) 0.0019 (6) −0.0005 (6)C11 0.0187 (8) 0.0173 (7) 0.0180 (8) −0.0017 (6) 0.0058 (6) 0.0006 (6)C12 0.0193 (8) 0.0186 (8) 0.0189 (8) −0.0005 (6) 0.0040 (7) −0.0018 (6)C13 0.0163 (8) 0.0148 (7) 0.0216 (8) −0.0001 (6) 0.0017 (6) −0.0016 (6)C14 0.0164 (8) 0.0163 (7) 0.0217 (8) −0.0016 (6) 0.0055 (7) 0.0005 (6)C15 0.0165 (7) 0.0173 (7) 0.0180 (8) −0.0009 (6) 0.0057 (6) −0.0001 (6)C16 0.0212 (9) 0.0341 (10) 0.0294 (11) −0.0026 (8) −0.0031 (8) −0.0018 (8)C17 0.0172 (8) 0.0163 (7) 0.0233 (9) 0.0007 (6) 0.0043 (7) 0.0036 (6)C18 0.0242 (9) 0.0168 (8) 0.0280 (10) −0.0041 (6) 0.0035 (7) −0.0046 (7)supporting informationsup-5Acta Cryst. (2015). E71, o1093–o1094    Geometric parameters (Å, º) O1—C3 1.370 (2) C8—H8A 0.9900O1—C16 1.427 (2) C8—H8B 0.9900O2—C17 1.225 (2) C9—C10 1.464 (2)N1—C17 1.348 (2) C10—C11 1.399 (2)N1—N2 1.3916 (19) C10—C15 1.401 (2)N1—C7 1.487 (2) C11—C12 1.389 (2)N2—C9 1.294 (2) C11—H11A 0.9500C1—C2 1.385 (3) C12—C13 1.397 (2)C1—C6 1.400 (2) C12—H12A 0.9500C1—H1A 0.9500 C13—C14 1.394 (3)C2—C3 1.397 (2) C13—C18 1.509 (2)C2—H2A 0.9500 C14—C15 1.396 (2)C3—C4 1.396 (2) C14—H14A 0.9500C4—C5 1.401 (3) C15—H15A 0.9500C4—H4A 0.9500 C16—H16A 0.9800C5—C6 1.391 (2) C16—H16B 0.9800C5—H5A 0.9500 C16—H16C 0.9800C6—C7 1.520 (2) C17—H17A 0.9500C7—C8 1.547 (2) C18—H18A 0.9800C7—H7A 1.0000 C18—H18B 0.9800C8—C9 1.510 (2) C18—H18C 0.9800C3—O1—C16 117.61 (16) N2—C9—C8 113.76 (14)C17—N1—N2 120.11 (15) C10—C9—C8 124.81 (15)C17—N1—C7 126.02 (15) C11—C10—C15 118.75 (15)N2—N1—C7 113.67 (13) C11—C10—C9 120.65 (15)C9—N2—N1 107.38 (14) C15—C10—C9 120.60 (16)C2—C1—C6 120.53 (16) C12—C11—C10 120.46 (16)C2—C1—H1A 119.7 C12—C11—H11A 119.8C6—C1—H1A 119.7 C10—C11—H11A 119.8C1—C2—C3 120.51 (16) C11—C12—C13 121.13 (16)C1—C2—H2A 119.7 C11—C12—H12A 119.4C3—C2—H2A 119.7 C13—C12—H12A 119.4O1—C3—C4 125.21 (16) C14—C13—C12 118.34 (16)O1—C3—C2 115.02 (16) C14—C13—C18 120.72 (16)C4—C3—C2 119.76 (16) C12—C13—C18 120.95 (17)C3—C4—C5 119.09 (16) C13—C14—C15 121.08 (16)C3—C4—H4A 120.5 C13—C14—H14A 119.5C5—C4—H4A 120.5 C15—C14—H14A 119.5C6—C5—C4 121.44 (16) C14—C15—C10 120.23 (16)C6—C5—H5A 119.3 C14—C15—H15A 119.9C4—C5—H5A 119.3 C10—C15—H15A 119.9C5—C6—C1 118.65 (16) O1—C16—H16A 109.5C5—C6—C7 120.08 (15) O1—C16—H16B 109.5C1—C6—C7 121.11 (15) H16A—C16—H16B 109.5N1—C7—C6 109.79 (14) O1—C16—H16C 109.5supporting informationsup-6Acta Cryst. (2015). E71, o1093–o1094    N1—C7—C8 99.73 (14) H16A—C16—H16C 109.5C6—C7—C8 114.96 (15) H16B—C16—H16C 109.5N1—C7—H7A 110.6 O2—C17—N1 123.94 (18)C6—C7—H7A 110.6 O2—C17—H17A 118.0C8—C7—H7A 110.6 N1—C17—H17A 118.0C9—C8—C7 102.57 (14) C13—C18—H18A 109.5C9—C8—H8A 111.3 C13—C18—H18B 109.5C7—C8—H8A 111.3 H18A—C18—H18B 109.5C9—C8—H8B 111.3 C13—C18—H18C 109.5C7—C8—H8B 111.3 H18A—C18—H18C 109.5H8A—C8—H8B 109.2 H18B—C18—H18C 109.5N2—C9—C10 121.34 (15)C17—N1—N2—C9 176.47 (16) N1—C7—C8—C9 −15.61 (17)C7—N1—N2—C9 −8.36 (18) C6—C7—C8—C9 101.70 (17)C6—C1—C2—C3 0.3 (3) N1—N2—C9—C10 179.55 (14)C16—O1—C3—C4 −1.7 (3) N1—N2—C9—C8 −3.61 (19)C16—O1—C3—C2 177.67 (17) C7—C8—C9—N2 13.1 (2)C1—C2—C3—O1 179.00 (16) C7—C8—C9—C10 −170.18 (15)C1—C2—C3—C4 −1.6 (3) N2—C9—C10—C11 −2.2 (2)O1—C3—C4—C5 −179.20 (17) C8—C9—C10—C11 −178.69 (17)C2—C3—C4—C5 1.5 (3) N2—C9—C10—C15 177.74 (16)C3—C4—C5—C6 −0.1 (3) C8—C9—C10—C15 1.3 (2)C4—C5—C6—C1 −1.2 (3) C15—C10—C11—C12 −0.6 (2)C4—C5—C6—C7 174.34 (16) C9—C10—C11—C12 179.34 (16)C2—C1—C6—C5 1.1 (3) C10—C11—C12—C13 −0.5 (3)C2—C1—C6—C7 −174.42 (16) C11—C12—C13—C14 1.2 (3)C17—N1—C7—C6 69.3 (2) C11—C12—C13—C18 −178.97 (17)N2—N1—C7—C6 −105.52 (16) C12—C13—C14—C15 −0.8 (3)C17—N1—C7—C8 −169.58 (16) C18—C13—C14—C15 179.34 (16)N2—N1—C7—C8 15.59 (18) C13—C14—C15—C10 −0.3 (3)C5—C6—C7—N1 −95.70 (18) C11—C10—C15—C14 1.0 (2)C1—C6—C7—N1 79.7 (2) C9—C10—C15—C14 −178.97 (15)C5—C6—C7—C8 152.86 (16) N2—N1—C17—O2 178.37 (16)C1—C6—C7—C8 −31.7 (2) C7—N1—C17—O2 3.8 (3)Hydrogen-bond geometry (Å, º) Cg2 is the centroid of the C1–C6 ring.D—H···A D—H H···A D···A D—H···AC1—H1A···O2i 0.95 2.39 3.207 (2) 144C14—H14A···O2ii 0.95 2.57 3.477 (2) 160C15—H15A···Cg2iii 0.95 2.78 3.661 (2) 154Symmetry codes: (i) x, y+1, z; (ii) x+1/2, y+3/2, z; (iii) x+1/2, y+1/2, z.

Crystal structure of 5-(4-methoxyphenyl)-

3-(4-methylphenyl)-4,5-dihydro-1Hpyrazole-

1-carbaldehyde

In the title compound, C18H18N2O2, the pyrazole ring has a twisted conformation on the CH—CH2bond. The tolyl ring and the 4-methoxyphenyl ring are inclined to the mean plane of the pyrazole ring by 4.40 (9) and 86.22 (9)°, respectively, while the two aromatic rings are inclined to one another by 88.75 (9)°. In the crystal, molecules are linkedviabifurcated C—H...(O,O) hydrogen bonds and C—H...π interactions, forming sheets lying parallel to theabplane.</jats:p

null Shruthi

Crossref

Crystal structure of 5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbaldehyde

http://eprints.usm.my/38587/1/Crystal_structure_of_5%2D(4%2Dmethoxyphenyl)%2D3%2D(4%2Dmethylphenyl)%2D4%2C5%2Ddihydro%2D1Hpyrazole%2D1%2Dcarbaldehyde.pdf

Crystal structure of 5-(4-methoxyphenyl)- 3-(4-methylphenyl)-4,5-dihydro-1Hpyrazole- 1-carbaldehyde

Abstract

Similar works

Full text

Available Versions

Directory of Open Access Journals

Repository@USM

Crossref