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Ethyl 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxyl-ate.

ABSTRACT: In the title compound, C(16)H(20)N(2)O(2), the pyrazole ring is essentially planar [maximum deviation = 0.008 (2) Å] and is inclined at an angle of 82.82 (10)° with respect to the phenyl ring. The crystal packing is consolidated by pairs of inter-molecular C-H⋯O hydrogen bonds, which link the mol-ecules into centrosymmetric dimers stacked along the a axis.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3007952 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Ethyl 1-(4-chloro-benz-yl)-3-phenyl-1H-pyrazole-5-carboxyl-ate.

Project description:In the title compound, C(19)H(17)ClN(2)O(2), the pyrazole ring makes dihedral angles of 6.97 (5) and 79.25 (1)°, respectively, with the phenyl and chlorophenyl rings, respectively. In the crystal, C-H⋯O hydrogen bonds are observed.

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Project description:In the crystal structure of the title compound, C(9)H(14)BNO(4), the boronic acid group and carbamate groups are nearly co-planar with the pyrrole ring, making dihedral angles of 0.1?(2) and 2.2?(2)°, respectively. Intra-molecular and inter-molecular O-H?O hydrogen bonds help to stabilize the structure, the latter interaction leading to inversion dimers..

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Ethyl 1-(4-methyl-phen-yl)-5-phenyl-4-phenyl-sulfon-yl-1H-pyrazole-3-carboxyl-ate.

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Project description:In the title compound, C(17)H(15)NO(4)S, the six-membered ring of the indole unit makes a dihedral angle of 72.40?(5)° with the phenyl ring. The mol-ecular structure features a short C-H?O contact.

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Project description:In the title mol-ecule, C(8)H(12)N(2)O(2)S, the imidazole ring forms a dihedral angle of 5.9?(2)° with the mean plane of the carboxyl-ate group. In the crystal, mol-ecules are linked by pairs of N-H?S hydrogen bonds, forming inversion dimers.

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Project description:In the title mol-ecule, C(20)H(22)N(2)O(2), the benzimidazole ring system is essentially planar, with a maximum deviation of 0.024?(1)?Å. The dihedral angle between the phenyl and benzimidazole ring system is 43.71?(5)°. The atoms of the butyl group are disordered over two sets of sites with occupancies of 0.900?(4) and 0.100?(4). In the crystal structure, mol-ecules are connected by weak inter-molecular C-H?O hydrogen bonds, forming chains along the b axis. The crystal structure is further stabilized by C-H?? inter-actions.

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