Pyrazolidine ring are practically coplanar, producing adoi:ten.1107/SActa Cryst. (2014). E70, 84?analysis communicationsTable?Hydrogen-bond geometry (A, ).Cg will be the centroid from the C1 six ring. D–H?? C3–H3?? 2 C3–H3?? 1i C17–H17C?? gii D–H 0.96 (4) 0.96 (4) 1.02 (3) H?? 2.31 (three) 2.52 (2) two.73 (three) D?? 2.934 (four) 3.152 (4) three.551 (4) D–H?? 122 (1) 124 (1) 138 (2)Symmetry codes: (i) ?1; ?1; ?1; (ii) x ?1; y ?1; z.dihedral angle of four.83 (17) , whereas the imply plane via the 4-methoxyphenyl aromatic ring is just about perpendicular [87.36 (17) ] for the pyrazolidine plane. The aromatic rings are inclined to 1 a further at 89.23 (16) . The configuration of the exocyclic C1 N7 bond is Z. The pyrazolidine ring shows a betaine character with opposite charges located on adjacent nitrogen atoms, N1 and N2.123958-87-2 site The N1–N2 bond distance of ??1.362 (three) A agrees with all the average value of 1.357 (7) A + ?obtained for N –N in pyrazolidine rings identified within the Cambridge Structural Database (CSD, Version five.35, February 2014; Allen, 2002). The intramolecular C3–H3?? 2 interaction (Table 1 and Fig. 1) can also be observed in comparable compounds located in the CSD.FigureCrystal packing for the title compound viewed along the a axis, using the C–H???and C–H?? interactions drawn as dashed lines (see Table 1 for particulars).based on the additional substitution on the 1-benzylidene substituent. A fit from the prevalent components of the title compound and (1Z)-1-(4-chlorobenzylidene-5,5-dimethyl-3-oxopyrazolidin-1-ium-2-ide (refcode: BOLJUH; Kulpe et al., 1983) final results ?in an r.m.s. deviation of 0.069 A.three. Supramolecular featuresIn the crystal packing C ?? hydrogen bonds are observed (Table 1 and Fig. two), resulting in the formation of inversion dimers with R2 (16) loops. In addition, the aromatic ring of two the 4-chlorobenzyl substituent is involved in C–H???interactions (Table 1 and Fig. two), forming ribbons of dimers propagating along [110].5. Synthesis and crystallizationThe beginning material, ethyl p-methoxycinnamate, was isolated from Kaempferia galanga L., a traditional medicinal plant in Vietnam (Do, 2011). The reaction scheme to synthesize the title compound, (two), is given in Fig.Price of 7-Amino-4-bromoisoindolin-1-one 3.PMID:33685829 Synthesis of 5-p-methoxyphenylpyrazolidin-3-one (1): A solution of 1.03 g (five mmol) of ethyl p-methoxycinnamate, 0.5 ml of N2H4 2O 80 in 5 ml of ethanol was refluxed for 24 h. Towards the cool mixture 0.2 ml of H2O was added and permitted to stand. The resulting precipitate was collected and recrystallized from ethanol to give 0.54 g (yield 56 ) of (1) in the type of white crystals; m.p. 442?43 K. IR (KBr, cm?): 3229, 3180 (NH); 3041, 2951, 2834 (C–H), 1675 (C O); 1605, 1520 (phenyl C C). 1H NMR (d6-DMSO, , ppm; J, Hz): 9.14 s (N2H); 5.46 broadened s, (N1H); 2.63 dd, 2J 15.five, 3J 7.5 (H4a); two.37 dd, 2J 15.5, 3J eight.0 (H4b); 4.52 t, 3J 7.5 (H5); 7.32 d, 3J 8.5 (2H, Ho); 6.91 d, 3J eight.5 (2H, Hm); three.74 s (3H, MeO). 13C NMR [d6-DMSO, , p.p.m., in line with the HSQC and HMBC spectra of (1)]: 175.37 (C3), 39.00 (C4), 59.87 (C5), 132.37 (Ci), 127.85 (Co), 113.66 (Cm), 158.51 (Cp), 55.06 (MeO). Evaluation: calculated for C10H12N2O2: C, 62.49; H, 6.29; N, 14.57; identified: C, 62.71; H, six.08; N, 14.29.four. Database surveyThe Cambridge Structural Database contains 15 crystal structures containing a comparable 1-methylidene-3-oxopyrazolidin-1-ium-2-ide fragment. For the 12 structures bearing a 1-benzylidene substituent, the dihedral angle amongst its aromatic ring along with the pyrazolidine ring varies from 0.0 to 65.FigureMolecular.