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1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene-terephthalic acid-water (1/1/4).

ABSTRACT: The asymmetric unit of the title compound, C(12)H(14)N(4)·C(8)H(6)O(4)·4H(2)O, consists of one half of the 1,4-bis-(4,5-dihydro-1H-imidazol-2-yl)benzene (bib) mol-ecule, one half of the terephthalic acid (TA) mol-ecule and two water mol-ecules. Both the bib and the TA mol-ecules reside on crystallographic inversion centers, which coincide with the centroids of the respective benzene rings. The bib and the TA, together with the water mol-ecules, are linked through inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds, forming a three-dimensional network of stacked layers. Weak inter-molecular C-H?O contacts support the stability of the crystal structure.

SUBMITTER: Shang SM

PROVIDER: S-EPMC2971323 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene-terephthalic acid-water (1/1/4).

Shang Shao-Ming SM Li Su-Yun SY Ren Chun-Xia CX Wang Xin X Lu Lu-De LD

Acta crystallographica. Section E, Structure reports online 20091010 Pt 11

The asymmetric unit of the title compound, C(12)H(14)N(4)·C(8)H(6)O(4)·4H(2)O, consists of one half of the 1,4-bis-(4,5-dihydro-1H-imidazol-2-yl)benzene (bib) mol-ecule, one half of the terephthalic acid (TA) mol-ecule and two water mol-ecules. Both the bib and the TA mol-ecules reside on crystallographic inversion centers, which coincide with the centroids of the respective benzene rings. The bib and the TA, together with the water mol-ecules, are linked through inter-molecular O-H⋯O, O-H⋯N and ...[more]

PMID: 21578289

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