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  • International Union of Crystallography (IUC)  (21)
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  • 11
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    6,8-Dibromo-4-oxo-4H-chromene-3-carbaldehyde (2014)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2014-03-16
    Description: In the title compound, C10H4Br2O3, the atoms of the 6,8-dibromochromone unit are essentially coplanar [largest deviation from the mean planes = 0.1109 (3) Å] and the formyl group is twisted slightly with respect to the attached ring [C—C—C—O torsion angles = 11.5 (4) and −168.9 (3)°]. In the crystal, molecules are linked to each other through halogen bonds [Br...O = 3.118 (2) Å, C—Br...O = 162.37 (8) and C=O...Br = 140.20 (15)°]. The molecules are further assembled via π–π stacking interactions [centroid–centroid distance = 3.850 (2) Å].
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 12
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    6-Chloro-8-nitro-4-oxo-4H-chromene-3-carbaldehyde (2014)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2014-04-13
    Description: In the title compound, C10H4ClNO5, the non-H atoms of the 6-chlorochromone unit are coplanar (r.m.s. deviation = 0.017 Å) with the largest deviation from the mean plane [0.031 (2) Å] being found for the C=O C atom. The nitro group (NO2) is inclined to the chromone unit mean plane by 13.3 (2) °. The formyl group is also twisted with respect to the attached ring [C—C—C—O torsion angles = 10.8 (4) and −171.8 (2)°]. In the crystal, molecules are linked via C-H...O hydrogen bonds forming slab-like networks lying parallel to (-301). The slabs are linked by π–π interactions involving the benzene rings of the chromone units [centroid–centroid distance = 3.770 (3) Å].
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 13
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    6,8-Diiodo-4-oxo-4H-chromene-3-carbaldehyde (2014)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2014-04-13
    Description: The title compound, C10H4I2O3, is an iodinated 3-formylchromone derivative, and the atoms are essentially coplanar [r.m.s. deviation = 0.049 Å, largest deviation from the least-squares plane = 0.111 (9) Å for the CH(=O) C atom]. In the crystal, molecules are linked into a three-dimensional network through halogen bonds [I...O = 3.352 (5) and 3.405 (7) Å, C—I...O = 144.2 (3) and 154.5 (3)°, and C=O...I = 134.9 (6) and 146.0 (6)°], and π–π stacking interactions [centroid–centroid distance = 3.527 (6) Å].
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 14
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    6-Fluoro-4-oxo-4H-chromene-3-carbaldehyde (2014)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2014-04-19
    Description: In the title compound, C10H5FO3, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0071 Å), with the largest deviation from the mean plane [0.0203 (15) Å] being found for the ring C atom in the 2-position. In the crystal, molecules are linked into a three-dimensional architecture via C—H...O hydrogen bonds and π–π stacking interactions between the chromone units along the a-axis direction [centroid–centroid distance between the benzene and pyran rings = 3.707 (2) Å].
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 15
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    6-Chloro-4-oxo-4H-chromene-3-carbaldehyde (2014)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2014-04-10
    Description: In the title compound, C10H5ClO3, a chlorinated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0456 Å) with the largest deviation from the least-squares plane [0.1136 (16) Å] being found for the ring-bound carbonyl O atom. In the crystal, molecules are linked through stacking interactions along the b axis [shortest centroid–centroid distance between the pyran and benzene rings = 3.4959 (15) Å].
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 16
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    6-Bromo-4-oxo-4H-chromene-3-carbaldehyde (2014)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2014-04-17
    Description: In the title compound, C10H5BrO3, a brominated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0420 Å), with the largest deviation from its mean plane [0.109 (2) Å] being found for the ring-bound carbonyl O atom. In the crystal, molecules are linked through halogen bonds [Br...O = 3.191 (2) Å, C—Br...O = 167.32 (10)° and C=O...Br = 168.4 (2)°] along [101]. Molecules are assembled into layers parallel to (101) via π–π stacking interactions along the b axis [shortest centroid–centroid distance between the pyran and benzene rings = 3.495 (2) Å].
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 17
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    Crystal structure of 7-bromo-4-oxo-4H-chromene-3-carbaldehyde (2014)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2014-08-14
    Description: In the title compound, C10H5BrO3, a brominated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0631 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.215 (3) Å] being for the formyl O atom. In the crystal, molecules are linked into tapes through C—H...O hydrogen bonds and these tapes are assembled by stacking interactions [centroid–centroid distance between the pyran rings = 3.858 (3) Å] to form supramolecular layers that stack along the c axis.
    Keywords: crystal structurechromoneC—H...O hydrogen bondingstacking interaction
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 18
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    Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde (2016)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2016-11-05
    Description: In the title compound, C10H5IO3, an iodinated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0344 Å), with the largest deviation from the least-squares plane [0.101 (3) Å] being found for the formyl O atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene rings = 3.700 (3) Å] and C—H...O hydrogen bonds. Halogen bonds between the I atoms at 7-position and the formyl O atoms [I1...O3 = 3.056 (2) Å, C6—I1...O3 = 173.18 (8)° and I1...O3—C10 = 111.12 (18)°] are also formed along [110], resulting in sheets perpendicular to the c axis, constructed by C—H...O hydrogen bonds and I...O halogen bonds.
    Keywords: crystal structureπ–π stackinghydrogen bondhalogen bond
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 19
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    6-Chloro-7-methyl-4-oxo-4H-chromene-3-carbaldehyde (2014)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2014-06-27
    Description: In the title compound, C11H7ClO3, a chlorinated and methylated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0670 Å), with the largest deviation from the least-squares plane [0.2349 (17) Å] being for the pyran carbonyl O atom. In the crystal, molecules are linked through π–π stacking interactions along the a axis [centroid–centroid distance between the pyran rings = 3.824 (6) Å] and two stacks are connected by type I halogen–halogen interactions between the Cl atoms [Cl...Cl = 3.397 (3) Å].
    Keywords: crystal structure
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 20
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    6-Chloro-7-fluoro-4-oxo-4H-chromene-3-carbaldehyde (2014)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2014-06-27
    Description: In the title compound, C10H4ClFO3, a chlorinated and fluorinated 3-formylchromone derivative, all atoms are essentially coplanar (r.m.s. = 0.0336 Å for the non-H atoms), with the largest deviation from the least-squares plane [0.062 (2) Å] being for a benzene-ring C atom. In the crystal, molecules are linked through stacking interactions [centroid–centroid distance between the benzene and pyran rings = 3.958 (3) Å and interplanar distance = 3.259 (3) Å], C—H...O hydrogen bonds, and short C...O contacts [2.879 (3) Å]. Unsymmetrical halogen–halogen interactions between the Cl and F atoms [Cl...F = 3.049 (3) Å, C—Cl...F = 148.10 (9)° and C—F...Cl = 162.06 (13)°] are also formed, giving a meandering two-dimensional network along the a axis.
    Keywords: crystal structure
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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