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1.
IUCrdata ; 6(Pt 4): x210318, 2021 Apr.
Article in English | MEDLINE | ID: mdl-36339101

ABSTRACT

The complete mol-ecule of the title compound, C16H12Cl4N2O4, is generated by a crystallographic centre of symmetry. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into [010] chains featuring R 2 2(10) loops. The chains are cross-linked by short Cl⋯N contacts [3.224 (2) Å].

2.
IUCrdata ; 6(Pt 3): x210314, 2021 Mar.
Article in English | MEDLINE | ID: mdl-36340291

ABSTRACT

The title compound, C24H20N2O4·H2O, crystallizes with half a mol-ecule of 2-(naphthalen-2-yl-oxy)-N'-[2-(naphthalen-2-yl-oxy)acet-yl]acetohydrazide and half a water mol-ecule in the asymmetric unit. In the crystal, mol-ecules form planes parallel to (011). Two mol-ecules are connected by water mol-ecules via O-H⋯O and N-H⋯O hydrogen bonds.

3.
IUCrdata ; 5(Pt 5): x200700, 2020 May.
Article in English | MEDLINE | ID: mdl-36337147

ABSTRACT

The mol-ecule of the title compound, C25H18ClF2N5S, comprises almost co-planar fluoro-phenyl, methyl-thia-zolyl, pyrazolyl and chloro-phenyl rings with the second fluoro-phenyl ring almost perpendicular to this plane. One fluoro-phenyl group is disordered over two components of occupancy ratio 0.767 (10):0.233 (10) related by a 24.2 (8)° twist. In the crystal, two mol-ecules related by inversion symmetry are linked by a pair of C-H⋯F contacts in an R(8)2 2 geometry.

4.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 11): o866, 2015 Nov 01.
Article in English | MEDLINE | ID: mdl-26594568

ABSTRACT

In the title compound, C12H14N2S, the cyclo-hexane ring adopts a chair conformation with the exocyclic C-C bond in an equatorial orientation. The mean plane through the cyclo-hexane ring (all atoms) is twisted from the thia-zolo-pyridine ring system (r.m.s. deviation = 0.013 Å) by 39.57 (6)°. In the crystal, mol-ecules form (100) sheets, although there are no specific directional inter-actions between them. The crystal stucture was refined as a two-component perfect twin.

5.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 11): o877, 2015 Nov 01.
Article in English | MEDLINE | ID: mdl-26594575

ABSTRACT

In the title compound, C12H7N3O2S, the dihedral angle between the planes of the thia-zolo-pyridine ring system (r.m.s. deviation = 0.005 Å) and the benzene ring is 3.94 (6)°. The nitro group is rotated by 7.6 (2)° from its attached ring. In the crystal, extensive aromatic π-π stacking [shortest centroid-centroid separation = 3.5295 (9) Å] links the mol-ecules into (001) sheets.

6.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 8): o562-3, 2015 Aug 01.
Article in English | MEDLINE | ID: mdl-26396797

ABSTRACT

In the title mol-ecule, C13H10N2S, the dihedral angle between the planes through the non-H atoms of the methylbenzene and thi-azo-lopyridine groups is 36.61 (5)°. In the crystal, the thi-azo-lopyridine groups of inversion-related mol-ecules overlap, with a minimum ring-centroid separation of 3.6721 (9) Å. Furthermore, the methylbenzene groups from neighbouring mol-ecules inter-act edge-to-face at an angle of 71.66 (5)°. In addition, weak C-H⋯ N hydrogen bonds form chains exending along [100].

7.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 8): o590-1, 2015 Aug 01.
Article in English | MEDLINE | ID: mdl-26396813

ABSTRACT

In the title mol-ecule, C11H13N3O, the propyl group is almost perpendicular to the quinazolin-4(3H)-one mean plane, making a dihedral angle of 88.98 (9)°. In the crystal, mol-ecules related by an inversion centre are paired via π-π overlap, indicated by the short distances of 3.616 (5) and 3.619 (5) Šbetween the centroids of the aromatic rings of neighbouring mol-ecules. Inter-molecular N-H⋯N and N-H⋯O hydrogen bonds form R 6 (6)(30) rings and C(5) chains, respectively, generating a three-dimensional network. Weak C-H⋯O inter-actions are also observed.

8.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 9): o650-1, 2015 Sep 01.
Article in English | MEDLINE | ID: mdl-26396885

ABSTRACT

The mol-ecule of the title compound, C10H11N3O, is planar, including the ethyl group, as indicated by the N-C-C-C torsion angle of 1.5 (2)°. In the crystal, inversion-related mol-ecules are stacked along the a axis. Mol-ecules are oriented head-to-tail and display π-π inter-actions with a centroid-to-centroid distance of 3.6664 (8) Å. N-H⋯O hydrogen bonds between mol-ecules generate a 'step' structure through formation of an R 2 (2)(10) ring.

9.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 4): o246-7, 2015 Apr 01.
Article in English | MEDLINE | ID: mdl-26029437

ABSTRACT

In the title compound, C10H14N2O, the pyridine ring is inclined to the mean plane of the amide moiety [N-C(=O)C] by 17.60 (8)°. There is an intra-molecular C-H⋯O hydrogen bond present involving the carbonyl O atom. In the crystal, mol-ecules are linked via N-H⋯N hydrogen bonds, forming chains propagating along [100]. The tert-butyl group is disordered over two sets of sites with a refined occupancy ratio of 0.758 (12):0.242 (12).

10.
Acta Crystallogr E Crystallogr Commun ; 71(Pt 6): o419-20, 2015 Jun 01.
Article in English | MEDLINE | ID: mdl-26090202

ABSTRACT

There are two mol-ecules in the asymmetric unit of the title compound, C11H16N2O. The pyridine rings and amide groups overlap almost perfectly (r.m.s. overlay fit = 0.053 Å), but the tertiary butyl groups have different orientations: in one mol-ecule, one of the methyl C atoms is syn to the amide O atom [O-C-C-C = -0.8 (3)°] and in the other the equivalent torsion angle is 31.0 (2)°. In the crystal, the two independent mol-ecules are linked by a pair of N-H⋯N hydrogen bonds in the form of an R 2 (2)(8) loop to form a dimer. A C-H⋯O inter-action connects the dimers into [100] chains.

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