Crystal structure of ethyl (E)-1-(3-ethoxy-3-oxoprop-1-en-1-yl)-2-(4-nitrophenyl)-2,5-dihydro-1H-benzo[b][1,4]diazepine-3-carboxylate, C23H23N3O6
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چکیده
منابع مشابه
Crystal structure of 2-ethyl-4-methyl-1-(2-oxido-3,4-dioxocyclobut-1-en-1-yl)-1H-imidazol-3-ium
In the title inner salt molecule, C10H10N2O3, the four-membered cyclobutene ring is twisted by 7.1 (2)° with respect to the five-membered imidazole ring. The crystal packing exhibits an R 2 (2)(9) hydrogen-bonding ring motif through N-H⋯O and C-H⋯O inter-actions. The potential non-linear optical properties were studied by a computational ab initio calculations performed at the DFT/B3LYP/6-31++G...
متن کاملCrystal structure of (E)-1-(3-chlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
The title compound, C13H9ClO2, exhibits a non-planar geometry; the furan ring being inclined to the benzene ring by 50.52 (16)°. In the crystal, mol-ecules stack along the a axis; however, there are no significant inter-molecular inter-actions present.
متن کامل4-[(1E)-3-(2,6-Dichloro-3-fluorophenyl)-3-oxoprop-1-en-1-yl]benzonitrile
In the title mol-ecule, C(16)H(8)Cl(2)FNO, the benzene rings form a dihedral angle of 78.69 (8)°. The F atom is disordered over two positions in a 0.530 (3):0.470 (3) ratio. The crystal packing exhibits π-π inter-actions between dichloro-substituted rings [centroid-centroid distance = 3.6671 (10) Å] and weak inter-molecular C-H⋯F contacts.
متن کامل1-(4-{2-[(E)-3-(4-Chlorophenyl)-3-oxoprop-1-en-1-yl]phenoxy}butyl)-1H-indole-3-carbaldehyde
In the title compound, C(28)H(24)ClNO(3), the dihedral angles between the central benzene ring and the indole ring system and the chlorobenzene ring are 70.81 (5) and 78.62 (5)°, respectively. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O inter-action. In the crystal, pairs of C-H⋯O hydrogen bonds link the mol-ecules into inversion dimers with an R(2) (2)(14) motif.
متن کاملCrystal structure of (E)-1-(4′-methyl-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one
In the title compound, C22H17NO3, the mol-ecule has an E conformation about the C=C bond, and the C-C=C-C torsion angle is -177.7 (3)°. The planes of the terminal benzene rings are twisted by 41.62 (16)°, while the biphenyl unit is non-planar, the dihedral angle between the planes of the rings being 38.02 (15)°. The dihedral angle between the nitro-phenyl ring and the inner benzene ring is 5.29...
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ژورنال
عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures
سال: 2019
ISSN: 2197-4578,1433-7266
DOI: 10.1515/ncrs-2018-0447