1-Methyl-6-nitro-1H-benzimidazole

نویسندگان

  • Jan Lokaj
  • Viktor Kettmann
  • Tomáš Solčan
  • Svetozar Katuščák
چکیده

The title compound, C(8)H(7)N(3)O(2), a potential anti-tumour drug and an anti-oxidant agent, was studied in order to give more insight into structure-function relationships. The 1-methyl-benzimidazole unit of the mol-ecule was found to be exactly planar and the nitro group is inclined at an angle of 10.4 (2)° to the plane of the heterocycle. The bond lengths in the present derivative were analyzed in details and compared with those of the parent unsubstituted analogues in the Cambridge Structural Database. The results have shown that the additional nitro group is not involved in conjugation with the adjacent π-system and hence has no effect on the charge distribution of the heterocyclic ring.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

2-Methyl-5-nitro-1H-benzimidazole monohydrate

In the title compound, C(8)H(7)N(3)O(2)·H(2)O, the 2-methyl-5-nitro-1H-benzimidazole mol-ecule, excluding the methyl H atoms, is approximately planar, with a maximum deviation of 0.137 (1) Å. The crystal structure is stabilized by water mol-ecules via N-H⋯O(water), O(water)-H⋯O and O(water)-H⋯N hydrogen bonds, forming sheets parallel to the (100) plane. A short inter-molecular contact between t...

متن کامل

1-Methyl-2-methyl­sulfanyl-6-nitro-1H-benzimidazole

The mol-ecule of the title compound, C9H9N3O2S, is built up from fused five- and six-membered rings connected to methyl-sulfanyl and nitro groups, respectively. The mean plane through the fused ring system is inclined slightly relative to the plane passing through the nitro group [dihedral angle = 3.6 (2)°]. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds and π-π inter-actions bet...

متن کامل

Design and Evaluation of a Mercury (II) Optode Based on Immobilization of 5, 6 Di methyl -1- (4 methyl benzyl) -2- para tolyl-1H-benzimidazole (DMBPTBI) on a Triacetylcellulose Membrane and Determination in Various Samples

The characterization of an optical sensor membrane is described for the determination of Hg2+ ions based on the immobilization of 5, 6 Di methyl -1- ( 4 methyl benzyl) -2- para tolyl-1H-benzimidazole (DMBPTBI) on a triacetylcellulose membrane. The membrane responds to mercury ions by changing color reversibly from orange to red in universal buffer solution at pH 2. Under optimum conditions, the...

متن کامل

1-Methyl-2-({[(1-methyl-1H-benzimid­azol-2-yl)meth­yl](phen­yl)amino}­meth­yl)1H-benzimidazol-3-ium picrate

In the title molecular salt, C(24)H(24)N(5) (+)·C(6)H(2)N(3)O(7) (-), the dihedral angle between the benzimidazole rings of the cation is 5.041 (2)°. In the anion, the three nitro groups make dihedral angles of 2.468 (3), 12.795 (3) and 24.958 (4)° with respect to the central ring. In the crystal, weak aromatic π-π stacking [centroid-centroid distance = 3.599 (15) Å] consolidates the packing. I...

متن کامل

2-Methyl-5-nitro-1H-benzimidazol-6-amine dihydrate

The title benzimidazole mol-ecule, C(8)H(8)N(4)O(2)·2H(2)O, is planar with a maximum deviation of 0.079 (2) Å (for one of the O atoms in the nitro group). It crystallized as a dihydrate and inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the uncoordinated water mol-ecules, and the nitro and amine groups, respectively. In the crystal, N-H⋯O, O-H⋯N, O-H⋯O and C-H⋯O hydrogen bonds link the mol...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره 64  شماره 

صفحات  -

تاریخ انتشار 2008