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(3-Benzoylphenyl)(phenyl)methanone (2012)

Ahmed Raza Ahsraf Zareen Akhter Michael Bolte

Molecules of the title compound, C20H14O2, show approximate C s symmetry with the approximate mirror plane perpendicular to the central ring. The torsion angles about the acyclic bonds are 30.05 (15) and 30.77 (15)° in one half compared to −36.62 (14) and −18.60 (15)° in the other half of the molecule. The central aromatic ring makes dihedral angles of 47.78 (4) and 51.68 (3)° with the two terminal rings.

4-Nitrophenyl 2-methylbenzoate (2009)

Uzma Bibi Humaira M. Siddiqi Michael Bolte Zareen Akhter

The title compound, C14H11NO4, crystallizes with two molecules in the asymmetric unit. The major conformational difference between these two molecules is the dihedral angle between the aromatic rings, namely 36.99 (5) and 55.04 (5)°. The nitro groups are coplanar with the phenyl rings to which they are attached, the O—N—C—C torsion angles being -1.9 (3) and 1.0 (3)° in the two molecules.

4-Nitrophenyl 1-naphthoate (2010)

Uzma Bibi Humaira M. Siddiqi Zareen Akhter Michael Bolte

In the title compound, C17H11NO4, the dihedral angle between the two benzene rings is 8.66 (3)°. The nitro group is twisted by 4.51 (9)° out of the plane of the aromatic ring to which it is attached. The presence of intermolecular C—H ... O contacts in the crystal structure leads to the formation of chains along the c axis.

1,10-Bis(4-nitrophenoxy)decane (2010)

Toheed Akhter Humaira M. Siddiqia Zareen Akhter Michael Bolte

The title compound, C22H28N2O6, crystallizes with four half-molecules in the asymmetric unit: each molecule is located about a crystallographic inversion centre. The central methylene groups of two molecules are disordered over two sets of equally occupied sites. The crystal packing is characterized by sheets of molecules parallel to (114).

4-Methylbenzyl 4-aminobenzoate (2010)

Ali Haider Zareen Akhter Muhammad Saif Ullah Khan Michael Bolte Humaira M. Siddiqia

The dihedral angle between the two benzene rings in the title compound, C15H15NO2, is 65.28 (12)°. The crystal structure is stabilized by N—H ... N and N—H ... O hydrogen bonds, leading to the formation of supramolecular chains along the a-axis direction.

2-{5-[2-(4-Nitrophenoxy)phenyl]-1-phenyl-1H-pyrazol-3-yl}phenol (2010)

Ali Haider Zareen Akhter Michael Bolte Muhammad Zia-ul Haq Humaira M. Siddiqia

In the title compound, C27H19N3O4, the phenol and pyrazole rings are almost coplanar [dihedral angle = 0.95 (12)°] due to an intramolecular O—H ... N hydrogen bond, whereas the phenyl ring is tilted by 40.81 (7)° with respect to the plane of the pyrazole ring. The aromatic ring with a nitrophenoxy substituent makes a dihedral angle of 54.10 (7)° with the pyrazole ring.

1,2-Bis(4-aminophenoxy)ethane (2008)

M. Saeed Butt Zareen Akhter Michael Bolte Humaira M. Siddiqi

The molecule of the title compound, C14H16N2O2, is located on a crystallographic twofold rotation axis. The central O-C-C-O bridge adopts a gauche conformation. One of the amine H atoms is disordered over two equally occupied positions. The crystal structure is stabilized by N-H...O and N-H...N hydrogen bonds. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 Å; disorder in main residue; R factor = 0.049; wR factor = 0.119; data-to-parameter ratio = 17.9.

1,1,1,3,3,3-Hexafluoro-2,2-bis[4-(4-nitrophenoxy)phenyl]propane (2008)

Haq Nawaz Zareen Akhter Michael Bolte M. Saeed Butt Humaira M. Siddiqi

In the title compound, C27H16F6N2O6, the nitro groups are almost coplanar with the aromatic rings to which they are attached [dihedral angles = 3.5 (5) and 6.2 (3)°]. The dihedral angles between adjacent aromatic rings are 78.07 (8) and 71.11 (8)° for nitrophenyl/phenyl and 69.50 (8)° for phenyl/phenyl. An intermolecular C-H...[pi] interaction seems to be effective in the stabilization of the structure. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.004 Å; R factor = 0.045; wR factor = 0.092; data-to-parameter ratio = 12.5.

N-[4-(4-Nitrophenoxy)phenyl]-propionamide (2008)

Asifa Nigar Zareen Akhter Michael Bolte Humaira M. Siddiqi Rizwan Hussain

The title compound, C15H14N2O4, is an important intermediate for the synthesis of thermotropic liquid crystals. The dihedral angle between the two aromatic rings is 84.29 (4)°. An N-H...O hydrogen bond connects the molecules into chains running along the b axis. In addition, the crystal packing is stabilized by weak C-H...O hydrogen bonds. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.002 Å; R factor = 0.036; wR factor = 0.096; data-to-parameter ratio = 14.3.

4,4´-[4,4´-(Perfluoropropane-2,2-diyl)-bis(4,1-phenyleneoxy)]dianiline (2009)

Haq Nawaz Zareen Akhter Michael Bolte Humaira M. Siddiqi

In the title compound, C27H20F6N2O2, the dihedral angles between the planes of the aromatic rings connected by the ether O atoms are 84.13 (8) and 75.06 (9)°. The crystal structure is stabilized by N-H...O and N-H...F hydrogen bonds. Key indicators: single-crystal X-ray study; T = 173 K; mean σ(C–C) = 0.004 Å; R factor = 0.037; wR factor = 0.088; data-to-parameter ratio = 8.2.

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