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Methyl 2-oxo-2H-chromene-3-carboxylate (2012)

Aamer Saeed Aalia Ibrar Muhammad Arshad Michael Bolte

The title compound, C11H8O4, features an almost planar molecule (r.m.s. deviation = 0.033 Å for all non-H atoms). In the crystal, the molecules are linked via C-H...O hydrogen bonds, forming two-dimensional networks lying parallel to (1-21).

Synthesis and Crystal Structure of 1-(3-fluorophenyl)-3-(3,4,5-trimethoxybenzoyl)thiourea (2011)

Aamer Saeed Uzma Shaheen Michael Bolte

The title thiourea was synthesized by reaction of 3,4,5-trimethoxybenzoyl isothiocyante with 3-fluoroaniline. The 3,4,5-trimethoxybenzoyl isothiocyante was produced in situ by reaction of 3,4,5-trimethoxybenzoyl chloride with ammonium thiocyanate in dry acetonitrile. The structure was confirmed by the spectroscopic, elemental analysis and single crystal X-ray diffraction data. It crystallizes in the monoclinic space group P21/c with unit cell dimensions a = 13.0966(9), b = 16.6460(13), c = 7.8448(5), β = 106.721(5)°, V 1637.9(2) Å³, Z = 4.

Space group revsion of the triclinic polymorph of salicyl-aldehyde azine (2012)

Aamer Saeed Michael Bolte Muhammad Arshad

The structure of the title compound, C14H12N2O2 {systematic name: 2,2′-[hydrazinediylidenebis(methanylylidene)]diphenol}, has already been determined in the triclinic space group P An external file that holds a picture, illustration, etc. Object name is e-68-0o255-efi1.jpg with Z = 4 [El-Medani, Aboaly, Abdalla & Ramadan (2004 [triangle]). Spectrosc. Lett. 37, 619–632]. However, the correct space group should be P21/c with Z = 4. This structure is a new polymorph of the already known monoclinic polymorph of salicyladehyde azine, which crystallizes in space group P21/n with Z = 2. The benzene rings form a dihedral angle of 46.12 (9)°. Two intramolucular O—H[cdots, three dots, centered]N hydrogen bonds occur.

Ethyl 4-[3-(2-methylbenzoyl)thioureido]benzoate (2009)

Aamer Saeed Hummera Rafique Amara Mumtaz Michael Bolte

The molecular conformation of the title compound, C18H18N2O3S, is stabilized by an intramolecular N—H ... O hydrogen bond. The crystal packing shows centrosymmetric dimers connected by N—H ... S hydrogen bonds. The terminal ethoxy substituents are statistically disordered [occupancy ratio 0.527 (5):0.473 (5)].

N-Cyclohexyl-3,4,5-trimethoxybenzamide (2009)

Aamer Saeed Muhammad Arshad Rasheed Ahmad Khera Michael Bolte

The 3,5-methoxy groups in the title compound, C16H23NO4, are almost coplanar with the aromatic ring, whereas the 4-methoxy group is bent out of this plane. The three CH3—O—C—C torsion angles are -1.51 (18), 0.73 (19) and 75.33 (15)°. The cyclohexane ring adopts a chair conformation. In the crystal, molecules are connected by intermolecular N—H ... O hydrogen bonds into chains running along the b axis.

1-(4-Chlorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione (2010)

Aamer Saeed Michael Bolte

The dihydropyrimidine ring of the title compound, C13H15ClN2S, adopts an envelope conformation with five almost coplanar atoms (r.m.s. deviation = 0.054 Å) and the C atom bearing the two methyl substituents deviating from this plane by 0.441 (2) Å. The best plane through the five almost coplanar atoms forms a dihedral angle of 89.56 (5)° with the benzene ring. The crystal packing is characterized by centrosymmetric dimers connected by pairs of N—H ... S hydrogen bonds.

3,3'-Dibutanoyl-1,1'-(o-phenylene)dithiourea (2010)

Aamer Saeed Naeem Abbas Hummera Rafique Michael Bolte

The molecular conformation of the title compound, C16H22N4O2S2, is stabilized by two intramolecular N—H ... O hydrogen bonds. The crystal packing shows N—H ... O and N—H ... S hydrogen bonds.

(Biphenyl-4-yl)(phenyl)methanone (2010)

Aamer Saeed Shahid Ameen Samra Madiha Irfan Michael Bolte

In the title compound, C19H14O, the dihedral angle between the two aromatic rings of the biphenyl residue is 8.0 (3)° and the dihedral angle between the two rings connected by the carbonyl C atom is 51.74 (18)°. There are no short C—H ... O contacts in the crystal structure.

5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazole-2(3H)-thione (2010)

Aamer Saeed Muhammad Akram Abdul Rauf Michael Bolte

The two rings in the title compound, C11H12N2O4S, are roughly coplanar [dihedral angle = 6.77 (8)°]. Whereas the two outer methyl groups of the three methoxy groups are almost coplanar with the aromatic ring to which they are attached [C—C—O—C torsion angles = 8.5 (3) and -8.3 (3)°], the methyl group of the central methoxy substituent is not [C—C—C—C = -78.4 (3)°]. The crystal packing is stabilized by N—H ... O hydrogen bonding.

1,1´-(9-Octyl-9H-carbazole-3,6-diyl)diethanone (2010)

Aamer Saeed Madiha Kazmi Shahid Ameen Samra Madiha Irfan Michael Bolte

The central structural element of the title compound, C24H29NO2, is a carbazole unit substituted with two acetyl residues and an octyl chain. The acetyl residues are nearly coplanar [dihedral angles = 5.37 (14) and 1.0 (3)°] with the carbazole unit which is essentially planar (r.m.s. deviation for all non-H atoms = 0.025 Å). The octyl chain adopts an all-trans conformation. The crystal packing is stabilized by C—H ... O hydrogen bonds.

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