Crystal structure of 7-acetyl-5-benzoyl-6-phenyl-8-methyl-4,7-dihydropyrazolo[1,5-c]-1 H-pyrimidine-2-one
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M. Akkurt
The title compound, C22H19N3 crystallizes in the triclinic space group P1 with a= 8.310(1) Å, b= 9.890(1) Å, c= 12.007(1) Å, α =92.17(1)°, β= 97.32(1)°, γ =106.72(1)°; Z=2; Dx=1.3270(3) (gcm-3); R=0.068 for 1618 observed reflections [I ≥ 2σ (I)]. The angle between the least squares planes formed by the N1–C2–N3 and C4–C5–C6 atoms of the pyrimidine ring is 30.1(3)°. The dihydropyrimidine ring adopts a distorted boat conformation. The dihedral angle between the two phenyl rings is 48.4(1)°. The pyrazole ring in the title compound is distorted from planarity with a maximum deviation of 0.153(3) Å for C4. Two molecules form a dimere with 1. There are the shortest four inter- and two intramolecular hydrogen bonds in the structure and {four intermolecular [N1–H1= 0.860(3) Å, N1...O2i= 2.902(3) Å, H1...O2i= 2.129(2) Å, N1–H1...O2i=.149.3(2)°, C4–H4=.0.981(3) Å, C4...O70= 2.895(4) Å, H4...O70= 2.460(2) Å, C4–H4...O70= 106.5(2)°; C65–H65= 0.930(3) Å, C65...O70ii= 3.346(4) Å, H65...O70ii= 2.540(2) Å, C65–H65...O70ii= 145.2(2)° and C71–H71A= 1.02(3) Å, C71...O50= 3.188(6) Å, H71A...O50= 2.51(3) Å, C71–H71A...O50=123(2)°; (i) ≡ 1-x,2-y, -z, (ii) ≡ -x, 2-y, -1-z] and two intramolecular [C4–H4= 0.980(3) Å, C4...O70= 2.895(3) Å, H4...O70= 2.460(2) Å, C4–H4...O70= 106.5(2)° and C71–H71A= 1.026(3) Å, C71...O50= 3.189(5) Å, H71...O5= 2.51(3) Å, C71–H71A...O50= 123(2)°]}.
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Articles in the same Issue
- Linear elastic eigenstates of the compliance tensor for trigonal crystals
- The crystal structure of synthetic buckhornite, [Pb2BiS3][AuTe2]
- Experimental and theoretical high pressure study of β-Cs2SO4
- Examination of the effect of crystal packing forces on geometric parameters: a combined crystallographic and theoretical study of 2,2'-bipyridyl adducts of R2SnCl2
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- 1,1´,3,3´-Tetramethyl-2,2´-diimidazolium dication: Its bromide salt and the tetraphenylborates of its ketone adducts
- Crystal structure of picropodophyllin
- Crystal structure of 7-acetyl-5-benzoyl-6-phenyl-8-methyl-4,7-dihydropyrazolo[1,5-c]-1 H-pyrimidine-2-one
- Crystal structures and DSC investigations of trimethylphenylammonium perchlorate, trimethyl-phenylammonium tetrafluoroborate, methyltriphenyl-phosphonium perchlorate, and methyltriphenyl-phosphonium tetrafluoroborate, [Me3PhN][ClO4], [Me3PhN][BF4], [MePh3P][ClO4], and [MePh3P][BF4]
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- Structure and vibrational spectra of cis-diaquatetra-chloroplatinum(IV)-(18-crown-6)-water (1/1/2), cis-[PtCl4(H2O)2]·(18-cr-6)·2H2O
- Crystal growth, crystal structure and linear optical properties of the non-centrosymmetric ammonium bis(nitrilotriacetato)zirconate and hafnate, (NH4)2[Zr{N(CH2COO)3}2] and (NH4)2[Hf{N(CH2COO)3}2]
- Books Received
