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N,N'-Bis(4-fluoro-phen-yl)urea.

ABSTRACT: The asymmetric unit of the title compound, C(13)H(10)F(2)N(2)O, contains one and a half N,N'-bis-(4-fluoro-phen-yl)urea mol-ecules. One of the mol-ecules has crystallographic twofold rotation symmetry. The benzene rings are twisted from each other by dihedral angles of 29.69?(6)° for the mol-ecule in a general position and 89.83?(6)° for the symmetry-generated mol-ecule. In the crystal structure, a pair of inter-molecular N-H?O hydrogen bonds link symmetry-related mol-ecules into chains along the b axis, forming R(2) (1)(6) ring motifs.

SUBMITTER: Loh WS

PROVIDER: S-EPMC2979587 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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N,N'-Bis(4-fluoro-phen-yl)urea.

Loh Wan-Sin WS Fun Hoong-Kun HK Sarveswari S S Vijayakumar V V Ragavan R Venkat RV

Acta crystallographica. Section E, Structure reports online 20100512 Pt 6

The asymmetric unit of the title compound, C(13)H(10)F(2)N(2)O, contains one and a half N,N'-bis-(4-fluoro-phen-yl)urea mol-ecules. One of the mol-ecules has crystallographic twofold rotation symmetry. The benzene rings are twisted from each other by dihedral angles of 29.69 (6)° for the mol-ecule in a general position and 89.83 (6)° for the symmetry-generated mol-ecule. In the crystal structure, a pair of inter-molecular N-H⋯O hydrogen bonds link symmetry-related mol-ecules into chains along th ...[more]

PMID: 21579412

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A new polymorph of 1,3-bis-(penta-fluoro-phen-yl)urea.

Project description:The title compound, C13H2F10N2O, has been previously described in the space group Pbca with Z = 8 [Jai-nhuknan et al. (1997 ?). Acta Cryst. C53, 455-457]. The current P212121 polymorph was obtained from a tetra-hydro-furan solution. The penta-fluoro-phenyl rings make dihedral angles of 50.35?(6) and 54.94?(6)° with the urea fragment, in close accord with those reported for the first polymorph. In the crystal, both of the N-H groups donate H atoms to the same carbonyl O atom, forming a one-dimensional mol-ecular array along the a axis. There are close contacts between perfluoro-phenyl C atoms within the array [3.228?(3)?Å] and halogen bonds are also observed between the arrays [F?F = 2.709?(2) and 2.7323?(18)?Å].

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1-(3-Fluoro-phen-yl)-3-(4-nitro-phen-yl)urea.

Project description:In the title compound, C(13)H(10)FN(3)O(3), the dihedral angle between the fluoro-phenyl and nitro-phenyl ring planes is 6.51?(9)°. The crystal structure features N-H?O hydrogen bonds.

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1-(Adamantan-1-yl)-3-(4-fluoro-phen-yl)thio-urea.

Project description:In the title mol-ecule, C(17)H(21)FN(2)S, the mean planes of the benzene ring and the thio-urea fragment form a dihedral angle of 61.93?(9)°. In the crystal, pairs of weak N-H?S inter-actions link the mol-ecules, forming inversion dimers.

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3,5-Bis(4-fluoro-phen-yl)isoxazole.

Project description:In the crystal structure of the title compound, C(15)H(9)F(2)NO, the complete mol-ecule is generated by a crystallographic twofold rotation axis and the O and N atoms of the central isoxazole ring are statistically disordered with equal site occupancies. The terminal benzene rings form a dihedral angle of 24.23?(3)° with the isoxazole ring. The dihedral angle between the benzene rings is 47.39?(2)°. No significant inter-molecular inter-actions are observed.

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1,8-Bis(4-fluoro-phen-yl)naphthalene.

Project description:In the title compound, C(22)H(14)F(2), the two benzene rings are oriented with respect to the naphthalene ring system at 67.76 (8) and 67.50 (8)°, and the two benzene rings are twisted with respect to each other at 18.95 (10)°. Weak inter-molecular C-H⋯π inter-actions are present in the crystal structure.

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N,N'-Bis(4-chloro-phen-yl)urea.

Project description:The carbonyl unit of the title compound, C(13)H(10)Cl(2)N(2)O, lies on a twofold rotation axis. The ring is aligned at 51.6?(1)° with respect to the N-C(=O)-N fragment. The two -NH- fragments of one mol-ecule form hydrogen bonds [2.845?(2)?Å] to the C=O fragment of an adjacent mol-ecule, giving rise to the formation of a linear hydrogen-bonded chain.

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Project description:The two m-meth-oxy groups of the title compound, C(17)H(17)FN(2)O(4)S, are almost coplanar with the aromatic ring [CH(3)-O-C-C = 5.8?(1) and 5.9?(1)°], whereas the meth-oxy group in the para position is bent out of the ring plane [78.6?(1)°]. Mol-ecules are connected by inter-molecular N-H?S hydrogen bonds to form centrosymmetric dimers that are stacked along the a axis.

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2,2'-(Disulfanedi-yl)bis-[4,6-(4-fluoro-phen-yl)pyrimidine].

Project description:The title compound, C(32)H(18)F(4)N(4)S(2), is a disulfide symmetric-ally substituted with two diaza-meta-terphenyl groups. In the crystal, the mol-ecule adopts a twisted conformation with a C-S-S-C torsion angle of -91.82?(7)°. One of the 4,6-(4-fluoro-phen-yl)pyrimidine groups is virtually planar, with dihedral angles between the pyrimidine and benzene groups of 4.00?(8) and 5.44?(8)°, wheares the other is non-planar with analogues dihedral angles of 18.69?(8) and 26.60?(8)°. The planar 4,6-(4-fluoro-phen-yl)pyrimidine groups are involved in ?-? stacking inter-actions via their 4-fluoro-phenyl groups [centroid-centroid distances of 3.8556?(11) and 3.9284?(11)?Å] that assemble the mol-ecules into columns extended along the a axis. In addition, the structure is stabilized by C-F?? [F?centroid = 3.4017?(16)?Å], C-H?F and C-H?? inter-actions.

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1,3-Bis(2-meth-oxy-phen-yl)thio-urea.

Project description:In the title compound, C(15)H(16)N(2)O(2)S, the N-C(=S) bond lengths are indicative of the presence of amide-type resonance. The dihedral angles between the thio-urea unit and the attached aromatic rings are 59.80?(5) and 73.41?(4)° while the dihedral angle between the rings is 56.83?(4)°. In the crystal, inversion dimers linked by pairs of N-H?S hydrogen bonds occur. An N-H?? inter-action is observed for the second amino group. The shortest centroid-centroid distance between two aromatic systems is 4.0958?(8)?Å.

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N-(4-Chloro-butanoyl)-N'-(2-fluoro-phen-yl)thio-urea.

Project description:In the title compound, C(11)H(12)ClFN(2)OS, the asymmetric unit consists of two indenpendent mol-ecules. Both mol-ecules maintain a trans-cis configuration of the positions of the butanoyl and fluoro-phenyl groups with respect to the thiono group across their C-N bonds and are stabilized by classical intra-molecular N-H?O hydrogen bonds. In the crystal, inter-molecular N-H?O, C-H?S and N-H?S hydrogen bonds link the mol-ecules into infinite chains along the c axis.

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