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N-(4-Fluoro-phen-yl)-2,2-dimethyl-propan-amide.

ABSTRACT: The crystal packing in the title compound, C(11)H(14)FNO, features N-H?O hydrogen bonds, resulting in chains of mol-ecules running parallel to the c axis. The dihedral angle between the ring and the amide group is 39.1?(3)°.

SUBMITTER: Fang Z

PROVIDER: S-EPMC3379342 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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N-(4-Fluoro-phen-yl)-2,2-dimethyl-propan-amide.

Fang Zheng Z Zhang Feng F Zou Bao-Hua BH Guo Kai K

Acta crystallographica. Section E, Structure reports online 20120516 Pt 6

The crystal packing in the title compound, C(11)H(14)FNO, features N-H⋯O hydrogen bonds, resulting in chains of mol-ecules running parallel to the c axis. The dihedral angle between the ring and the amide group is 39.1 (3)°. ...[more]

PMID: 22719540

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P,P-Bis[4-(dimethyl-amino)-phen-yl]-N,N-bis-(propan-2-yl)phosphinic amide.

Project description:The mol-ecular structure of the title compound, C(22)H(34)N(3)OP, adopts a distorted tetra-hedral geometry at the P atom, with the most noticeable distortion being for the O-P-N angle [117.53?(10)°]. An effective cone angle of 187° was calculated for the compound. In the crystal, weak C-H?O inter-actions create infinite chains along [100], whereas C-H?? inter-actions propagating in [001] generate a herringbone motif.

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N-(2,3-Dimethyl-phen-yl)-4-fluoro-N-[(4-fluoro-phen-yl)sulfon-yl]benzene-sulfonamide.

Project description:In the title compound, C(20)H(17)F(2)NO(4)S(2), the dihedral angles between the o-xylene ring and the fluoro-benzene rings are 31.7?(1) and 32.8?(1)°, and the dihedral angle between the fluoro-benzene rings is 50.9?(1)°. The C-N-S-C torsion angles are 76.7?(2) and 101.8?(2)°. In the crystal, mol-ecules are connected by C-H?O inter-actions into sheets in the ab plane.

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4-(3-Fluoro-phen-yl)-1-(propan-2-yl-idene)thio-semicarbazone.

Project description:The title compound, C(10)H(12)FN(3)S, crystallizes in the same space group (P2(1)/c) as two polymorphic forms of 4-phenyl-1-(propan-2-yl-idene)thio-semicarbazone [Jian et al. (2005). Acta Cryst. E61, o653-o654; Venkatraman et al. (2005). Acta Cryst. E61, o3914-o3916]. The arrangement of mol-ecules relative to the twofold screw axes is similar to that in the crystal structure of the lower density polymorph. In the solid state, the mol-ecular conformation is stabilized by an intra-molecular N-H⋯N hydrogen bond. The mol-ecules form centrosymmetric R(2) (2)(8) dimers in the crystal through pairs of N-H⋯S hydrogen bonds.

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Project description:In the crystal structure of the title compound, C(8)H(6)Br(2)FNO, C-H?O and N-H?O hydrogen bonding results in six-membered rings and links the mol-ecules into chains running parallel to the c axis. The dihedral angle between the fluoro-phenyl ring and the acetamide group is 29.5?(5)°.

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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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Project description:In the title compound, C(16)H(22)N(2)OS(2), the S atom of the thia-diazole ring and the attached methyl groups are disordered over two orientations with a refined site-occupancy ratio of 0.641?(11):0.359?(11). The thia-diazole ring is in a twist conformation in both disorder components. The mean plane through the thia-diazole ring makes dihedral angles of 77.39?(8) (major component) and 67.45?(11)° (minor component) with the benzene ring. Intra-molecular C-H?N inter-actions generate two S(6) ring motifs. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds into zigzag chains parallel to the b axis.

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3-(2H-Benzotriazol-2-yl)-1-(4-fluoro-phen-yl)propan-1-one.

Project description:In the title compound, C(15)H(12)FN(3)O, the benzotriazole ring system is essentially planar, with a maximum deviation from the least-squares plane of 0.016?(3)?Å. The dihedral angle between this ring system and the fluoro-substituted benzene ring is 67.97?(2)°. The crystal structure is stabilized by weak inter-molecular C-H?N inter-actions.

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2,2-Dichloro-N-(3,5-dimethyl-phen-yl)-acetamide.

Project description:The structure of the title compound, C(10)H(11)Cl(2)NO, resembles those of 2,2-dichloro-N-phenyl-acetamide, 2,2-dichloro-N-(2-methyl-phen-yl)acetamide, 2,2-dichloro-N-(3-methyl-phen-yl)-acetamide, 2,2-dichloro-N-(4-methyl-phen-yl)acetamide, N-(3,5-dimethyl-phen-yl)acetamide and other acetanilides, with similar bond parameters. The mol-ecules in the title compound are linked into infinite chains through N-H?O and C-H?O hydrogen bonding.

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2,2-Dichloro-N-(2,3-dimethyl-phen-yl)acetamide.

Project description:The conformation of the N-H bond in the title compound, C(10)H(11)Cl(2)NO, is syn to both the 2- and 3-methyl substituents in the aromatic ring, similar to that of the 2-chloro and 3-chloro substituents in 2,2-dichloro-N-(2,3-dichloro-phen-yl)acetamide and the 2-methyl substituent in 2,2-dichloro-N-(2-methyl-phen-yl)acetamide, but in contrast to the anti conformation observed with respect to the 3-methyl substituent in 2,2-dichloro-N-(3-methyl-phen-yl)acetamide. The bond parameters in the title compound are similar to those in 2,2-dichloro-N-phenyl-acetamide and other acetanilides. The mol-ecules of the title compound are linked into chains through N-H?O and C-H?O hydrogen bonding.

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2,2-Dichloro-N-(3,4-dimethyl-phen-yl)acetamide.

Project description:In the title compound, C(10)H(11)Cl(2)NO, the N-H bond is syn to the 3-methyl substituent in the aromatic ring, similar to that observed in N-(3,4-dimethyl-phen-yl)acetamide and to the 3-chloro substituent in 2,2-dichloro-N-(3,4-dichloro-phen-yl)acetamide, and contrasting with the anti conformation observed for the 3-methyl substituent in 2,2,2-trichloro-N-(3,4-dimethyl-phen-yl)acetamide. On the other hand, it is anti to the C=O bond. An inter-molecular N-H?O hydrogen bond links mol-ecules into infinite chains along the b axis.

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