Buy article online - an online subscription or single-article purchase is required to access this article.
In the title compound, C
8H
10NO
2+·NO
3−, there are two crystallographically independent cations and two anions, the pairs being related by a pseudo-inversion centre at approximately (0,
,
). The phenylglycinium cations and nitrate anions are linked to each other through strong N—H
O and O—H
O hydrogen bonds, forming a three-dimensional complex network.
Supporting information
CCDC reference: 234908
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.007 Å
- R factor = 0.056
- wR factor = 0.138
- Data-to-parameter ratio = 11.4
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT035_ALERT_1_A No _chemical_absolute_configuration info given . ?
PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 9.29 Ratio
Alert level B
PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.44 Ratio
Alert level C
PLAT024_ALERT_4_C Merging of Friedel Data Preferred for Z<=Si .... !
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.72 Ratio
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.08 Ratio
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... N2A
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor .... 2.04
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 7
PLAT353_ALERT_3_C Long N-H Bond (0.87A) N1B - H120 = 1.01 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact O5A .. C2A = 2.93 Ang.
Alert level G
REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to
determine absolute structure in a light-atom
study EXCEPT under VERY special conditions.
It is preferred that Friedel data is merged in such cases.
From the CIF: _diffrn_reflns_theta_max 26.30
From the CIF: _reflns_number_total 3752
Count of symmetry unique reflns 2200
Completeness (_total/calc) 170.55%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 1552
Fraction of Friedel pairs measured 0.705
Are heavy atom types Z>Si present no
2 ALERT level A = In general: serious problem
1 ALERT level B = Potentially serious problem
9 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
5 ALERT type 2 Indicator that the structure model may be wrong or deficient
5 ALERT type 3 Indicator that the structure quality may be low
2 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: KappaCCD Reference Manual (Nonius, 1998); cell refinement: DENZO and SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO and SCALEPACK; program(s) used to solve structure: SIR2002 (Burla et al., 2003); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997) and PLUTON (Spek, 1990); software used to prepare material for publication: WinGX (Farrugia, 1999).
D-Phenylglycinium nitrate
top
Crystal data top
C8H10NO2+·NO3− | F(000) = 448 |
Mr = 214.18 | Dx = 1.445 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2yb | Cell parameters from 3980 reflections |
a = 10.4320 (3) Å | θ = 2.0–26.3° |
b = 5.6450 (2) Å | µ = 0.12 mm−1 |
c = 16.7830 (2) Å | T = 293 K |
β = 94.943 (3)° | Prism, colourless |
V = 984.65 (5) Å3 | 0.25 × 0.20 × 0.15 mm |
Z = 4 | |
Data collection top
Nonius KappaCCD area-detector diffractometer | 2831 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.069 |
Graphite monochromator | θmax = 26.3°, θmin = 2.0° |
φ scans | h = −12→12 |
7185 measured reflections | k = −6→6 |
3752 independent reflections | l = −20→20 |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.056 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.138 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.16 | w = 1/[σ2(Fo2) + (0.0724P)2] where P = (Fo2 + 2Fc2)/3 |
3752 reflections | (Δ/σ)max = 0.004 |
328 parameters | Δρmax = 0.25 e Å−3 |
1 restraint | Δρmin = −0.27 e Å−3 |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F2, conventional
R-factors R are based on F, with F set to zero for
negative F2. The threshold expression of F2 >
σ(F2) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F2 are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
C1A | 0.1469 (4) | 0.4257 (8) | 0.4835 (2) | 0.0249 (9) | |
C1B | 0.1415 (4) | 0.7185 (7) | −0.0142 (2) | 0.0263 (10) | |
C2A | 0.1714 (4) | 0.2955 (8) | 0.5622 (2) | 0.0245 (9) | |
H2 | 0.1462 | 0.1248 | 0.5531 | 0.014 (9)* | |
C2B | 0.1869 (3) | 0.5997 (7) | 0.0639 (2) | 0.0213 (9) | |
H22 | 0.1759 | 0.4347 | 0.0539 | 0.032 (12)* | |
C3A | 0.3143 (4) | 0.2959 (8) | 0.5912 (3) | 0.0285 (10) | |
C3B | 0.3260 (4) | 0.6582 (8) | 0.0902 (2) | 0.0251 (9) | |
C4A | 0.3722 (5) | 0.4762 (9) | 0.6352 (3) | 0.0482 (14) | |
H4 | 0.3345 | 0.6174 | 0.6443 | 0.048 (14)* | |
C4B | 0.3981 (4) | 0.4990 (10) | 0.1380 (3) | 0.0455 (13) | |
H44 | 0.3606 | 0.3541 | 0.1508 | 0.032 (12)* | |
C5A | 0.5039 (5) | 0.4687 (13) | 0.6568 (4) | 0.0649 (18) | |
H5 | 0.5389 | 0.6080 | 0.6802 | 0.061 (17)* | |
C5B | 0.5256 (5) | 0.5495 (12) | 0.1627 (4) | 0.0654 (19) | |
H55 | 0.5668 | 0.4342 | 0.1966 | 0.069 (18)* | |
C6A | 0.5762 (5) | 0.2815 (14) | 0.6332 (4) | 0.0659 (17) | |
H6 | 0.6636 | 0.2574 | 0.6490 | 0.13 (3)* | |
C6B | 0.5817 (5) | 0.7518 (12) | 0.1387 (4) | 0.0565 (15) | |
H66 | 0.6694 | 0.7846 | 0.1531 | 0.070 (18)* | |
C7A | 0.5185 (5) | 0.1051 (12) | 0.5888 (4) | 0.0664 (18) | |
H7 | 0.5581 | −0.0329 | 0.5690 | 0.059 (17)* | |
C7B | 0.5107 (5) | 0.9092 (12) | 0.0901 (4) | 0.0589 (16) | |
H77 | 0.5451 | 1.0546 | 0.0721 | 0.071 (19)* | |
C8A | 0.3882 (5) | 0.1093 (10) | 0.5671 (3) | 0.0500 (14) | |
H8 | 0.3462 | −0.0228 | 0.5437 | 0.049 (15)* | |
C8B | 0.3828 (4) | 0.8655 (9) | 0.0671 (3) | 0.0432 (13) | |
H88 | 0.3309 | 0.9665 | 0.0323 | 0.046 (14)* | |
N1A | 0.0896 (3) | 0.3989 (7) | 0.6226 (2) | 0.0291 (9) | |
H10 | −0.0042 | 0.3649 | 0.6087 | 0.050 (15)* | |
H11 | 0.1036 | 0.5605 | 0.6336 | 0.053 (17)* | |
H12 | 0.1105 | 0.3164 | 0.6637 | 0.07 (2)* | |
N1B | 0.0990 (3) | 0.6691 (6) | 0.12531 (19) | 0.0245 (8) | |
H100 | 0.0989 | 0.8453 | 0.1335 | 0.018 (11)* | |
H110 | 0.0160 | 0.6233 | 0.1050 | 0.034 (12)* | |
H120 | 0.1270 | 0.5971 | 0.1791 | 0.08 (2)* | |
N2A | 0.8659 (3) | 0.3989 (6) | 0.2635 (2) | 0.0284 (8) | |
N2B | 0.1387 (3) | 0.1677 (6) | 0.2384 (2) | 0.0277 (8) | |
O1A | 0.1060 (3) | 0.6267 (6) | 0.47733 (18) | 0.0381 (8) | |
O1B | 0.0802 (3) | 0.9000 (6) | −0.01840 (17) | 0.0342 (8) | |
O2A | 0.1759 (3) | 0.2876 (7) | 0.42532 (18) | 0.0449 (9) | |
H | 0.1607 | 0.3380 | 0.3724 | 0.039 (14)* | |
O2B | 0.1820 (3) | 0.6028 (6) | −0.07435 (19) | 0.0474 (10) | |
H' | 0.1647 | 0.6729 | −0.1198 | 0.055 (16)* | |
O3A | 0.8728 (3) | 0.5946 (6) | 0.2296 (2) | 0.0452 (9) | |
O3B | 0.1315 (3) | −0.0109 (6) | 0.2801 (2) | 0.0428 (9) | |
O4A | 0.8454 (4) | 0.2135 (6) | 0.22480 (19) | 0.0492 (10) | |
O4B | 0.1270 (4) | 0.1552 (6) | 0.16386 (17) | 0.0424 (9) | |
O5A | 0.8820 (3) | 0.3867 (6) | 0.33787 (19) | 0.0438 (9) | |
O5B | 0.1552 (3) | 0.3716 (5) | 0.2692 (2) | 0.0368 (8) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
C1A | 0.020 (2) | 0.032 (2) | 0.023 (2) | −0.0022 (17) | 0.0011 (17) | 0.0021 (17) |
C1B | 0.023 (2) | 0.032 (2) | 0.024 (2) | 0.0016 (17) | 0.0000 (17) | 0.0002 (17) |
C2A | 0.023 (2) | 0.030 (2) | 0.020 (2) | −0.0011 (17) | 0.0021 (17) | −0.0019 (17) |
C2B | 0.021 (2) | 0.024 (2) | 0.018 (2) | 0.0022 (16) | 0.0007 (16) | 0.0021 (15) |
C3A | 0.032 (2) | 0.032 (2) | 0.021 (2) | 0.0014 (18) | 0.0028 (19) | 0.0072 (18) |
C3B | 0.022 (2) | 0.034 (2) | 0.019 (2) | 0.0014 (17) | 0.0002 (16) | 0.0013 (18) |
C4A | 0.039 (3) | 0.044 (3) | 0.060 (4) | 0.006 (2) | −0.008 (2) | −0.019 (3) |
C4B | 0.030 (3) | 0.052 (3) | 0.052 (3) | −0.001 (2) | −0.005 (2) | 0.023 (3) |
C5A | 0.047 (4) | 0.074 (5) | 0.071 (5) | −0.011 (3) | −0.013 (3) | −0.013 (4) |
C5B | 0.032 (3) | 0.082 (4) | 0.078 (5) | −0.002 (3) | −0.020 (3) | 0.039 (4) |
C6A | 0.032 (3) | 0.084 (4) | 0.080 (5) | 0.005 (3) | −0.006 (3) | 0.005 (4) |
C6B | 0.022 (3) | 0.077 (4) | 0.070 (4) | −0.008 (3) | −0.003 (2) | 0.010 (4) |
C7A | 0.035 (3) | 0.069 (4) | 0.096 (5) | 0.016 (3) | 0.010 (3) | −0.009 (4) |
C7B | 0.036 (3) | 0.055 (3) | 0.085 (5) | −0.017 (3) | 0.002 (3) | 0.019 (3) |
C8A | 0.044 (3) | 0.043 (3) | 0.064 (4) | 0.007 (2) | 0.005 (3) | −0.007 (3) |
C8B | 0.032 (3) | 0.041 (3) | 0.056 (4) | −0.003 (2) | −0.002 (2) | 0.016 (2) |
N1A | 0.031 (2) | 0.031 (2) | 0.026 (2) | −0.0006 (16) | 0.0073 (16) | 0.0015 (18) |
N1B | 0.029 (2) | 0.0260 (17) | 0.0181 (19) | −0.0045 (15) | 0.0009 (14) | 0.0030 (15) |
N2A | 0.0297 (19) | 0.033 (2) | 0.023 (2) | 0.0031 (16) | 0.0021 (16) | −0.0003 (17) |
N2B | 0.035 (2) | 0.0240 (17) | 0.024 (2) | 0.0007 (15) | 0.0025 (15) | 0.0012 (16) |
O1A | 0.0435 (19) | 0.0393 (19) | 0.0308 (19) | 0.0074 (16) | −0.0007 (14) | 0.0059 (15) |
O1B | 0.0377 (18) | 0.0392 (18) | 0.0248 (17) | 0.0136 (14) | −0.0024 (13) | 0.0070 (13) |
O2A | 0.066 (2) | 0.051 (2) | 0.0175 (18) | 0.0122 (18) | 0.0036 (15) | −0.0011 (15) |
O2B | 0.065 (2) | 0.057 (2) | 0.0213 (18) | 0.0336 (19) | 0.0078 (15) | 0.0072 (15) |
O3A | 0.045 (2) | 0.041 (2) | 0.050 (2) | 0.0010 (16) | 0.0034 (16) | 0.0170 (17) |
O3B | 0.068 (2) | 0.0303 (19) | 0.0308 (19) | 0.0023 (15) | 0.0082 (16) | 0.0128 (14) |
O4A | 0.083 (3) | 0.042 (2) | 0.0228 (19) | −0.0085 (18) | 0.0029 (17) | −0.0089 (15) |
O4B | 0.078 (3) | 0.0325 (17) | 0.0174 (17) | −0.0082 (17) | 0.0063 (15) | −0.0003 (15) |
O5A | 0.076 (3) | 0.0323 (18) | 0.0239 (19) | −0.0014 (16) | 0.0069 (16) | −0.0073 (15) |
O5B | 0.053 (2) | 0.0312 (18) | 0.0262 (19) | −0.0035 (15) | 0.0041 (15) | −0.0047 (14) |
Geometric parameters (Å, º) top
C1A—O1A | 1.213 (5) | C6A—C7A | 1.354 (9) |
C1A—O2A | 1.306 (5) | C6A—H6 | 0.9372 |
C1A—C2A | 1.514 (6) | C6B—C7B | 1.378 (8) |
C1B—O1B | 1.207 (5) | C6B—H66 | 0.9440 |
C1B—O2B | 1.303 (5) | C7A—C8A | 1.377 (7) |
C1B—C2B | 1.512 (5) | C7A—H7 | 0.9547 |
C2A—N1A | 1.499 (5) | C7B—C8B | 1.379 (6) |
C2A—C3A | 1.528 (5) | C7B—H77 | 0.9553 |
C2A—H2 | 1.0072 | C8A—H8 | 0.9344 |
C2B—N1B | 1.489 (5) | C8B—H88 | 0.9511 |
C2B—C3B | 1.516 (5) | N1A—H10 | 1.0044 |
C2B—H22 | 0.9512 | N1A—H11 | 0.9397 |
C3A—C4A | 1.367 (6) | N1A—H12 | 0.8441 |
C3A—C8A | 1.385 (7) | N1B—H100 | 1.0040 |
C3B—C8B | 1.382 (6) | N1B—H110 | 0.9396 |
C3B—C4B | 1.384 (6) | N1B—H120 | 1.0105 |
C4A—C5A | 1.391 (7) | N2A—O4A | 1.241 (5) |
C4A—H4 | 0.9076 | N2A—O5A | 1.246 (5) |
C4B—C5B | 1.388 (7) | N2A—O3A | 1.248 (5) |
C4B—H44 | 0.9392 | N2B—O3B | 1.234 (5) |
C5A—C6A | 1.376 (9) | N2B—O4B | 1.248 (4) |
C5A—H5 | 0.9386 | N2B—O5B | 1.268 (5) |
C5B—C6B | 1.361 (9) | O2A—H | 0.9336 |
C5B—H55 | 0.9428 | O2B—H' | 0.8650 |
| | | |
O1A—C1A—O2A | 126.6 (4) | C7A—C6A—H6 | 115.1 |
O1A—C1A—C2A | 124.1 (4) | C5A—C6A—H6 | 125.1 |
O2A—C1A—C2A | 109.3 (4) | C5B—C6B—C7B | 119.5 (5) |
O1B—C1B—O2B | 125.8 (4) | C5B—C6B—H66 | 121.4 |
O1B—C1B—C2B | 123.6 (4) | C7B—C6B—H66 | 119.1 |
O2B—C1B—C2B | 110.6 (3) | C6A—C7A—C8A | 121.0 (5) |
N1A—C2A—C1A | 109.7 (3) | C6A—C7A—H7 | 127.4 |
N1A—C2A—C3A | 112.4 (3) | C8A—C7A—H7 | 111.6 |
C1A—C2A—C3A | 111.4 (3) | C6B—C7B—C8B | 120.6 (5) |
N1A—C2A—H2 | 108.7 | C6B—C7B—H77 | 122.9 |
C1A—C2A—H2 | 108.0 | C8B—C7B—H77 | 116.5 |
C3A—C2A—H2 | 106.5 | C7A—C8A—C3A | 119.8 (5) |
N1B—C2B—C1B | 108.5 (3) | C7A—C8A—H8 | 120.9 |
N1B—C2B—C3B | 111.9 (3) | C3A—C8A—H8 | 118.5 |
C1B—C2B—C3B | 112.1 (3) | C7B—C8B—C3B | 120.1 (5) |
N1B—C2B—H22 | 107.9 | C7B—C8B—H88 | 123.4 |
C1B—C2B—H22 | 104.9 | C3B—C8B—H88 | 116.4 |
C3B—C2B—H22 | 111.3 | C2A—N1A—H10 | 111.6 |
C4A—C3A—C8A | 119.5 (4) | C2A—N1A—H11 | 114.9 |
C4A—C3A—C2A | 123.1 (4) | H10—N1A—H11 | 111.3 |
C8A—C3A—C2A | 117.2 (4) | C2A—N1A—H12 | 102.4 |
C8B—C3B—C4B | 119.2 (4) | H10—N1A—H12 | 105.2 |
C8B—C3B—C2B | 121.7 (4) | H11—N1A—H12 | 110.6 |
C4B—C3B—C2B | 119.1 (4) | C2B—N1B—H100 | 111.3 |
C3A—C4A—C5A | 119.9 (5) | C2B—N1B—H110 | 106.2 |
C3A—C4A—H4 | 124.5 | H100—N1B—H110 | 108.1 |
C5A—C4A—H4 | 114.6 | C2B—N1B—H120 | 111.4 |
C3B—C4B—C5B | 119.9 (5) | H100—N1B—H120 | 106.3 |
C3B—C4B—H44 | 118.8 | H110—N1B—H120 | 113.6 |
C5B—C4B—H44 | 121.2 | O4A—N2A—O5A | 118.7 (4) |
C6A—C5A—C4A | 120.2 (6) | O4A—N2A—O3A | 121.5 (4) |
C6A—C5A—H5 | 124.1 | O5A—N2A—O3A | 119.8 (4) |
C4A—C5A—H5 | 115.0 | O3B—N2B—O4B | 121.2 (3) |
C6B—C5B—C4B | 120.6 (5) | O3B—N2B—O5B | 121.5 (4) |
C6B—C5B—H55 | 124.9 | O4B—N2B—O5B | 117.3 (3) |
C4B—C5B—H55 | 114.4 | C1A—O2A—H | 119.9 |
C7A—C6A—C5A | 119.6 (5) | C1B—O2B—H' | 113.5 |
| | | |
O1A—C1A—C2A—N1A | 24.1 (5) | C8A—C3A—C4A—C5A | −1.3 (7) |
O2A—C1A—C2A—N1A | −155.8 (3) | C2A—C3A—C4A—C5A | −177.5 (4) |
O1A—C1A—C2A—C3A | −101.2 (4) | C8B—C3B—C4B—C5B | 0.6 (7) |
O2A—C1A—C2A—C3A | 78.9 (4) | C2B—C3B—C4B—C5B | 179.9 (4) |
O1B—C1B—C2B—N1B | 25.4 (4) | C3A—C4A—C5A—C6A | 1.0 (8) |
O2B—C1B—C2B—N1B | −156.6 (3) | C3B—C4B—C5B—C6B | −1.7 (8) |
O1B—C1B—C2B—C3B | −98.6 (4) | C4A—C5A—C6A—C7A | 0.1 (9) |
O2B—C1B—C2B—C3B | 79.4 (4) | C4B—C5B—C6B—C7B | 1.1 (9) |
N1A—C2A—C3A—C4A | −37.6 (5) | C5A—C6A—C7A—C8A | −0.8 (9) |
C1A—C2A—C3A—C4A | 86.0 (4) | C5B—C6B—C7B—C8B | 0.6 (9) |
N1A—C2A—C3A—C8A | 146.1 (4) | C6A—C7A—C8A—C3A | 0.4 (8) |
C1A—C2A—C3A—C8A | −90.3 (4) | C4A—C3A—C8A—C7A | 0.7 (7) |
N1B—C2B—C3B—C8B | −95.9 (4) | C2A—C3A—C8A—C7A | 177.1 (4) |
C1B—C2B—C3B—C8B | 26.1 (5) | C4B—C3B—C8B—C7B | 1.1 (7) |
N1B—C2B—C3B—C4B | 84.8 (4) | C2B—C3B—C8B—C7B | −178.2 (4) |
C1B—C2B—C3B—C4B | −153.2 (4) | C6B—C7B—C8B—C3B | −1.7 (8) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O2A—H···O3B | 0.93 | 2.51 | 2.966 (5) | 110 |
O2A—H···O5B | 0.93 | 1.74 | 2.653 (5) | 166 |
O2B—H′···O4Ai | 0.87 | 1.77 | 2.593 (5) | 158 |
N1A—H10···O1Aii | 1.01 | 2.18 | 2.958 (5) | 133 |
N1A—H10···O3Biii | 1.01 | 2.48 | 2.982 (5) | 110 |
N1A—H11···O4Aiv | 0.94 | 2.54 | 3.142 (5) | 122 |
N1A—H11···O5Aiv | 0.94 | 1.91 | 2.842 (5) | 174 |
N1A—H12···O3Av | 0.85 | 2.18 | 3.015 (5) | 170 |
N1A—H12···O5Av | 0.85 | 2.43 | 2.976 (5) | 123 |
N1B—H100···O3Bvi | 1.00 | 2.59 | 3.158 (5) | 116 |
N1B—H100···O4Bvi | 1.00 | 1.84 | 2.829 (5) | 168 |
N1B—H110···O1Bvii | 0.94 | 2.11 | 2.906 (4) | 142 |
N1B—H120···O4B | 1.01 | 2.51 | 2.981 (5) | 108 |
N1B—H120···O5B | 1.01 | 1.98 | 2.958 (5) | 163 |
Symmetry codes: (i) −x+1, y+1/2, −z; (ii) −x, y−1/2, −z+1; (iii) −x, y+1/2, −z+1; (iv) −x+1, y+1/2, −z+1; (v) −x+1, y−1/2, −z+1; (vi) x, y+1, z; (vii) −x, y−1/2, −z. |
Subscribe to Acta Crystallographica Section E: Crystallographic Communications
The full text of this article is available to subscribers to the journal.
If you have already registered and are using a computer listed in your registration details, please email
support@iucr.org for assistance.