dc.contributor.author | Celik, I | |
dc.contributor.author | Akkurt, M | |
dc.contributor.author | Ide, S | |
dc.contributor.author | Onal, Z | |
dc.contributor.author | Altural, B | |
dc.date.accessioned | 2019-07-27T12:10:23Z | |
dc.date.accessioned | 2019-07-28T10:25:36Z | |
dc.date.available | 2019-07-27T12:10:23Z | |
dc.date.available | 2019-07-28T10:25:36Z | |
dc.date.issued | 2000 | |
dc.identifier.issn | 0044-2968 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12418/11720 | |
dc.description | WOS: 000085053400008 | en_US |
dc.description.abstract | The title compound, C22H19N3O3 crystallizes in the triclinic space group P (1) over bar with a = 8.310(1) Angstrom, b = 9.890(1) Angstrom, c = 12.007(1) Angstrom, alpha = 92.17(1)degrees, beta = 97.32(1)degrees. gamma = 106.72(1)degrees; Z = 2; D-x = 1.3270(3) (g cm(-3)); R = 0.068 for 1618 observed reflections [I greater than or equal to 2 sigma(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)degrees. The dihydropyrimidine ring adopts a distorted boat conformation. The dihedral angle between the two phenyl rings is 48.4(1)degrees. The pyrazole ring in the title compound is distorted from planarity with a maximum deviation of 0.153(3) Angstrom for C4. Two molecules form a dimere with (1) over bar. There are the shortest four inter- and two intramolecular hydrogen bonds in the structure and {four intermolecular [N1-H1 = 0.860(3) Angstrom, N1...O2(i) = 2.902(3) Angstrom, H1...O2(i) = 2.129(2) Angstrom, N1-H1 ...O2(i) = 149.3(2)degrees; C4-H4 = 0.981(3) Angstrom, C4-H4...O70 = 2.895(4) Angstrom, H4...O70 = 2.460(2) Angstrom. C4-H4...O70 = 106.5(2)degrees; C65-H65 = 0.930(3) Angstrom, C65...O70(ii) = 3.336(4) Angstrom, H65...O70(ii) = 2.540(2) Angstrom, C65-H65 ...O70(ii) = 145.2(2)degrees and C71-H7IA = 1.02(3) Angstrom, C71...O50 = 3.188(6) Angstrom, H71A...O50 = 2.51(3) Angstrom, C71-H71A...O50 = 1213(2)degrees; (i) = 1 -x, 2 - y, -z, (ii) = -x, 2 - y, -1 -z] and two intramolecular [C4-H4 = 0.0980(3) Angstrom, C4...O70 = 2.895(3) Angstrom, H4...O70 = 2.460(2) Angstrom, C4-H4...O70 = 106.5(2)degrees and C71-H71A = 1.026(3) Angstrom, C71...O50 = 3.189(5) Angstrom, H71...O50 = 2.51(3) Angstrom, C71-H71A...O50 = 123(2)degrees]}. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | OLDENBOURG VERLAG | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.title | Crystal structure of 7-acetyl-5-benzoyl-6-phenyl-8-methyl-4,7-dihydropyrazolo[1,5-c]-1 H-pyrimidine-2-one | en_US |
dc.type | article | en_US |
dc.relation.journal | ZEITSCHRIFT FUR KRISTALLOGRAPHIE | en_US |
dc.contributor.department | Cumhuriyet Univ, Fac Arts & Sci, Dept Phys, TR-58140 Sivas, Turkey -- Erciyes Univ, Fac Arts & Sci, Dept Phys, TR-38039 Kayseri, Turkey -- Hacettepe Univ, Dept Engn Phys, TR-06532 Ankara, Turkey -- Erciyes Univ, Fac Arts & Sci, Dept Chem, TR-38039 Kayseri, Turkey | en_US |
dc.identifier.volume | 215 | en_US |
dc.identifier.issue | 1 | en_US |
dc.identifier.endpage | 51 | en_US |
dc.identifier.startpage | 48 | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |