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1-Carboxymethyl-1'-carboxylatomethyl-3,3'-[p-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate.

ABSTRACT: In the crystal structure of the title salt, C(22)H(21)N(2)O(6) (+)·Br(-)·2H(2)O, pairs of betaine mol-ecules are bridged by protons (the bridging proton is disordered), forming strong and symmetrical O-H?O hydrogen bonds, leading to an infinite chain along the b axis. The water mol-ecules are linked to the betaine mol-ecule and the bromide ion through O-H?O and O-H?Br inter-actions. The central ring, located on an inversion centre, makes dihedral angles of 1.2?(2)° with the outer rings. One of the carboxylic acid groups is deprotonated.

SUBMITTER: Lian HL

PROVIDER: S-EPMC2983144 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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1-Carboxymethyl-1'-carboxylatomethyl-3,3'-[p-phenylenebis(oxymethylene)]dipyridinium bromide dihydrate.

Lian Hong-Lei HL Pan Wei-Cheng WC

Acta crystallographica. Section E, Structure reports online 20100930 Pt 10

In the crystal structure of the title salt, C(22)H(21)N(2)O(6) (+)·Br(-)·2H(2)O, pairs of betaine mol-ecules are bridged by protons (the bridging proton is disordered), forming strong and symmetrical O-H⋯O hydrogen bonds, leading to an infinite chain along the b axis. The water mol-ecules are linked to the betaine mol-ecule and the bromide ion through O-H⋯O and O-H⋯Br inter-actions. The central ring, located on an inversion centre, makes dihedral angles of 1.2 (2)° with the outer rings. One of t ...[more]

PMID: 21587627

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