Zobrazeno 1 - 10
of 45
pro vyhledávání: '"Rita Kakou-Yao"'
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 72, Iss 9, Pp 1356-1359 (2016)
In the cation of the title hydrated molecular salt, C10H12N3O3S+·Cl−·H2O, the benzimidazolium ring system is almost planar (r.m.s. deviation = 0.006 Å) and the nitro group is inclined at an angle of 4.86 (9)° to this plane. In the crystal, C—
Externí odkaz:
https://doaj.org/article/4928acbee22d4e95b765a7d7c25ae436
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 73, Iss 1, Pp 45-47 (2017)
In the title compound, C16H9ClO4 the dihedral angle between the coumarin ring system [maximum deviation = 0.023 (1) Å] and the benzene ring is 73.95 (8)°. In the crystal, π–π interactions link the dimers into a three-dimensional framework. A qu
Externí odkaz:
https://doaj.org/article/c543a421da9a46b7a00fdb0733c57ff2
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 72, Iss 11, Pp 1562-1564 (2016)
In the title compound, C12H10O4, the dihedral angle between the coumarin ring system [maximum deviation = 0.033 (8) Å] and the propionate side chain is 78.48 (8)°. In the crystal, weak C—H...O hydrogen bonds generate inversion dimers and and C—
Externí odkaz:
https://doaj.org/article/7a313da57ac447969d6fc3413ef9c379
Publikováno v:
IUCrData, Vol 2, Iss 5, p x170663 (2017)
In the title compound, C16H10O4, the dihedral angle between the coumarin ring system (r.m.s. deviation = 0.015 Å) and the benzoate group is 83.58 (9)°, which compares to a value of 81.8° obtained from a DFT calculation at the B3LYP/6–311 G(d,p)
Externí odkaz:
https://doaj.org/article/d2071a6521de46328533359297968cfb
Publikováno v:
IUCrData, Vol 2, Iss 4, p x170550 (2017)
In the title compound, C16H9FO4, the dihedral angle between the planar coumarin ring system [maximum deviation = 0.027 (1) Å] and the benzene ring is 70.18 (6)°. In the crystal, π–π interactions [shortest centroid–centroid separation = 3.5338
Externí odkaz:
https://doaj.org/article/8b7b229c6f0744dc8a70ac87ca304524
Publikováno v:
IUCrData, Vol 1, Iss 10, p x161633 (2016)
In the title coumarin derivative, C20H18O4, the benzene ring of the benzoate group is oriented at a dihedral angle of 57.55 (9)° with respect to the planar chromene ring system [maximum deviation from plane is 0.027 (2) Å]. In the crystal, inversio
Externí odkaz:
https://doaj.org/article/51e73b00b3c440c5aca9c8ff1598587f
Publikováno v:
Acta Crystallographica Section E, Vol 69, Iss 7, Pp o1125-o1126 (2013)
In the title compound, C12H10O4, the atoms of the 2-oxo-2H-chromene ring system and the non-H atoms of the 4-substituent all lie on a crystallographic mirror plane. The molecular structure exhibits an intramolecular C—H...O hydrogen bond, which gen
Externí odkaz:
https://doaj.org/article/e4f9bb05398d4e6a909a64c8cb23f162
Publikováno v:
Acta Crystallographica Section E, Vol 69, Iss 7, Pp o1081-o1082 (2013)
The asymmetric unit of the title compound, C17H12O4, consists of two independent molecules. The chromen-2-one ring and the 4-methylbenzoate side chain are inclined to one another at a dihedral angle of 64.79 (10)° in one molecule and 88.3 (1)° in t
Externí odkaz:
https://doaj.org/article/a6f3b615ccc94769995a3d1d5ddeec13
Publikováno v:
Acta Crystallographica Section E, Vol 68, Iss 12, Pp o3438-o3439 (2012)
In the title molecule, C17H12O5, the chromen-2-one ring and the 4-methoxybenzoate side chain are inclined to one another at a dihedral angle of 69.82 (9)°. The crystal structure features parallel sheets of centrosymmetric R22(6) dimers joined by a C
Externí odkaz:
https://doaj.org/article/7487225792e945848f8795af352ff2e6
Publikováno v:
Acta Crystallographica Section E, Vol 68, Iss 2, Pp o537-o538 (2012)
In the title molecule, C20H18O4, the three methyl groups of the tert-butyl substituent show rotational disorder. Each methyl group is split over three positions, with refined site-occupation factors of 0.711 (4), 0.146 (3) and 0.144 (4). The benzene
Externí odkaz:
https://doaj.org/article/838b1cca1ad143e0afd0adaeb4a5579e